metabolite_name S00013526 S00013527 S00013528 S00013529 S00013530 S00013531 (-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ 10319 9838 9057 10607 9293 10123 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+ 16976 15213 15774 9199 10314 7747 1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMIDE (CAS# 3031-94-5); (M+H)+ 21725 21687 28062 28862 30336 24396 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 150137 119266 177836 23051 23368 27403 1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ 1428 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] 92115 118145 81958 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ 190322 140395 230574 122197 127320 194195 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ 140935 106060 14277 19351 88399 27509 11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ 30832 6979 16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ 50073 41182 57067 23481 24341 42056 16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ 1248574 871364 1604507 821619 852870 1249225 16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ 240294 167650 313377 158938 140712 229957 16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ 6073198 4640836 6313300 4831050 4721635 6556550 18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ 19976 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1); (M+H)+ 2439 4720 3683 3004 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ 52006 28819 47283 50271 59340 10946 2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+ 1945 2107 2187 5194 5759 5946 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ 1454 6689 9065 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M+NA)+ 2263 3717 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)+ 1530 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+ 3812 3090 8651 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ 44362 24324 30798 30801 2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] 65909 58995 20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ 9685 1509 20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ 21856 17745 25496 13226 12302 20708 3'-CMP (CAS# 63-37-6); (M+H)+ 143179 134954 158592 141997 133313 103228 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ 38143 37294 39060 75733 78692 83419 3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 25885 26402 31018 33040 32060 31679 3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ 619993 579606 660549 583773 562039 504599 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ 8174 9486 8896 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+[-H2O] 10311 12409 11907 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ 19034 346098 363613 355634 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] 6346 5465 6404 7580 8600 7281 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+ 1852 3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ 4926 6001 4078 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ 46180 24374 30798 30801 3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+ 5895 5523 8964 6756 3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ 32745 3-PHOSPHOGLYCERATE (CAS# ); (M+NA)+ 2297 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 48346 47605 52432 49127 48357 42908 4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ 3432 15879 2127 6293 6256 5733 4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+ 1027 1207 4-COUMARATE (CAS# 501-98-4); (M+NA)+ 1356 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ 2193 3670 4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O] 8476 4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ 17518 19502 18481 26865 23056 12033 4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ 2314 1410 2316 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+ 43704 47496 61451 50446 57551 51954 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 3993656 3841061 4165753 3515531 3769328 3800148 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 33445 36204 44095 32957 34410 30441 5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ 17518 19502 23513 25294 25310 10787 5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 325283 281467 337507 311559 311587 228110 5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ 9613911 9174474 10300000 8618874 8924643 8457286 5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ 2093716 2319411 2111501 1897533 1988392 2391193 5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] 283413 180170 309320 133284 135938 225378 ABRINE (CAS# 526-31-8); (M+H)+ 4009 7713 3722 2089 ACETYLCHOLINE (CAS# 51-84-3); M+ 12595 15145 17017 8044 13896 38899 ADENINE (CAS# 73-24-5); (M+H)+ 324545 212424 255938 198191 187082 180338 ADENOSINE (CAS# 58-61-7); (M+H)+ 52006 36050 35107 50271 50053 57957 ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ 511938 435248 92221 314539 340020 241432 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ 824586 797782 749357 831696 683247 561711 ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ 46180 24343 30798 30801 ADP-RIBOSE (CAS# ); (M+H)+ 19383 16187 19267 10889 13595 11428 ADP-RIBOSE (CAS# ); (M+H)+[-H2O] 253087 246888 272689 438319 479412 340496 ADP-RIBOSE (CAS# ); (M+NA)+ 9008 8488 7246 3011 8508 12840 ADPGLUCOSE (CAS# ); (M+H)+ 10248 8583 8982 8511 9579 13517 ADPGLUCOSE (CAS# ); (M+NA)+ 3124 3283 2773 2689 3099 4635 ALANINE (CAS# 56-41-7); (2M+H)+[-H2O] 18725 35302 37991 32032 ALANINE (CAS# 56-41-7); (M+H)+ 15142 7974 38377 5021 37505 ALLANTOIN (CAS# 97-59-6); (M+NA)+ 1070 ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] 6215 9804 9222 8896 ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O] 12319 346098 363613 355634 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+ 3953 3032 1853 ANDROSTERONE (CAS# 53-41-8); (M+NA)+ 1402 ANTHRANILATE (CAS# 118-92-3); (M+H)+ 68827 ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] 1911 ASPARTATE (CAS# 56-84-8); (M+H)+ 3686 61293 5791 4045 102568 86397 AZELAIC ACID (CAS# 123-99-9); (M+NA)+ 171413 67602 75789 47498 79663 75280 BETA-ALANINE (CAS# 107-95-9); (M+H)+ 135766 131957 152200 67338 68535 91495 BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ 70368 16574 18706 17155 22298 22267 BETAINE (CAS# 107-43-7); (M+H)+ 296286 295665 337201 317328 311494 132021 BETAINE (CAS# 107-43-7); (M+NA)+ 5322 3554 5297 4580 4878 BILIVERDIN (CAS# 114-25-0); (M+H)+ 17569 17528 20254 19059 13973 12658 BILIVERDIN (CAS# 114-25-0); (M+NA)+ 2248 3963 4796 4082 1784 BIOTIN (CAS# 58-85-5); (2M+NA)+ 1539 BIOTIN (CAS# 58-85-5); (M+H)+ 38906 36214 43581 68594 75482 78906 BIOTIN (CAS# 58-85-5); (M+H)+[-H2O] 6520 7390 6454 11616 12308 13741 BIOTIN (CAS# 58-85-5); (M+NA)+ 57408 53116 62597 107884 116910 123824 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ 40534 25981 49352 25590 20441 28971 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ 5639827 4847032 7308046 3983208 3744606 5288855 BIURET (CAS# 108-19-0); (M+NA)+ 3016 BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+ 2853 6168 5247 7294 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+[-H2O] 2028 1767 CAFFEINE (CAS# 58-08-2); (M+H)+ 13601 9496 64176 9453 CAFFEINE (CAS# 58-08-2); (M+NA)+ 3004 12269 CAPECITABINE (CAS# 154361-50-9); (M+NA)+ 5055 5519 CELLOBIOSE (CAS# 528-50-7); (M+NA)+ 70368 16574 18706 18659 21909 22382 CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] 237118 180170 305888 147483 135938 225349 CHOLINE (CAS# 62-49-7); M+ 118265 109789 137209 142300 133265 122034 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ 2058637 1670040 1698646 1565345 5201708 1126503 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ 723934 772709 834299 657556 644451 632351 CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ 22600000 23200000 25500000 22300000 21600000 24900000 CITRAMALATE (CAS# 2306-22-1); (2M+NA)+ 5761 14583 CITRAMALATE (CAS# 2306-22-1); (M+NA)+ 3428 3010 6784 CITRATE (CAS# 77-92-9); (M+H)+[-H2O] 2673 1764 CITRATE (CAS# 77-92-9); (M+NA)+ 554114 518791 383988 468570 454458 691980 CMP (CAS# 63-37-6); (M+H)+ 142454 130230 154391 145162 133313 105737 CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ 2220 3358 5640 CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+ 2374 2368 CORTISONE (CAS# 53-06-5); (M+H)+ 125537 CORTISONE (CAS# 53-06-5); (M+NA)+ 1332489 25917 CREATINE (CAS# 57-00-1); (M+H)+ 2758032 2850447 3198698 1850609 1895383 1624853 CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+ 8540 9774 11903 8058 14225 CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+ 12759 11481 CYTIDINE (CAS# 65-46-3); (M+H)+ 1867 CYTIDINE 5'-DIPHOSPHATE (CAS# 63-38-7); (M+H)+ 8854 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+ 5497 6449 8492 6149 7752 1839 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+K)+ 2202 3365 1325 2489 2933 3310 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+NA)+ 3710 2506 4267 5175 4523 3538 CYTOSINE (CAS# 71-30-7); (M+H)+ 41196 36192 46565 32682 42966 33588 CYTOSINE (CAS# 71-30-7); (M+NA)+ 2286 6745 12165 15515 18428 D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ 4578 D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] 492479 450575 546385 680892 600149 587391 D-GLUCOSAMINE 6-SULFATE (CAS# 91674-26-9); (M+H)+ 1142 1966 3805 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+ 2154 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+ 3953 3032 1853 D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] 450091 450575 533052 698933 600149 587391 D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O] 4109 1616 D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] 80206 16070 19244 16559 21909 22382 DAMP (CAS# 653-63-4); (M+H)+ 32038 DECANOATE (CAS# 334-48-5); (2M+NA)+ 115841 109445 119670 102023 113640 115731 DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+ 2673 1764 DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] 361837 35731 DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+ 7092 3240 10079 9278 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ 1494 DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ 2760 DEPHOSPHO-COA (CAS# 3633-59-8); (M+2H)+2 3865 2197 3182 1597 1697 1170 DEPHOSPHO-COA (CAS# 3633-59-8); (M+H)+ 1419 2294 DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+ 3485 4098 4673 3791 4701 5056 DGDP (CAS# 653-63-4); (M+H)+ 32038 5158 DGMP (CAS# 902-04-5); (M+H)+ 96824 87134 120876 80671 85172 69036 DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ 5983 3515 4644 9105 7952 DIMETHYL MALEATE (CAS# 624-48-6); (M+NA)+ 1901 DOXYLAMINE (CAS# 469-21-6); (M+H)+ 1270 EDTA (CAS# 60-00-4); (M+NA)+ 1720 ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ 20272 13631 12335 29519 105732 ERUCIC ACID (CAS# 112-86-7); (M+NA)+ 1355 ERYTHRITOL (CAS# 149-32-6); (M+NA)+ 7570 6522 6135 8021 7078 6911 ESTRONE (CAS# 53-16-7); (M+H)+ 1261 ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ 2822 28638 25080 17365 22410 5851 FERULATE (CAS# 1135-24-6); (M+H)+ 1401 3945 4651 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+ 57177 55486 59731 50525 55165 67971 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+NA)+ 26223 26604 27705 24643 26560 30725 FOLIC ACID (CAS# 59-30-3); (M+H)+ 1589 1922 2693 2358 3838 2482 FOLIC ACID (CAS# 59-30-3); (M+NA)+ 1209 FRUCTOSE (CAS# 57-48-7); (M+NA)+ 317429 333248 310794 26870 369167 365044 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ 1440 1484 1690 2449 1756 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ 23721 22649 28504 34014 36811 26529 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] 689002 671826 721822 563377 578687 539037 GDPMANNOSE (CAS# ); (M+H)+ 17999 16213 14019 11383 GDPMANNOSE (CAS# ); (M+NA)+ 17935 22556 21822 19542 21830 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+ 12203 12643 22678 14431 9193 20190 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ 612343 613215 752726 545825 510939 725389 GLUCOSE (CAS# 50-99-7); (2M+NA)+ 3146 GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] 80206 16070 18706 18659 22298 22267 GLUCOSE (CAS# 50-99-7); (M+NA)+ 317429 297492 305544 349496 365295 374359 GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+ 1188 GLUTAMATE (CAS# 56-86-0); (M+H)+ 1132835 1658554 1287004 2422532 2274970 1619746 GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] 1150436 1063213 2236763 1449151 1396293 974809 GLUTAMINE (CAS# 56-85-9); (M+NA)+ 125495 123613 123670 119797 125116 GLUTARATE (CAS# 110-94-1); (M+NA)+ 8341 5552 8163 4724 5287 4609 GLUTATHIONE (CAS# 27025-41-8); (M+H)+ 10400000 7363817 10300000 7589458 7784434 6891647 GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 9558766 6820918 9645981 5942051 6178238 5172154 GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O] 7431 9486 8896 GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O] 346136 363613 361184 GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ 1535 1330 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ 3661 3366 GUANINE (CAS# 73-40-5); (M+H)+ 44599 11043 46618 66446 74089 70136 GUANOSINE (CAS# 118-00-3); (M+H)+ 1689 1832 4622 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+H)+ 5227 8583 8982 8459 9579 13894 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+NA)+ 1289 2896 2077 2689 2322 4635 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+ 46563 34963 35577 47768 41875 37988 HIPPURATE (CAS# 495-69-2); (M+NA)+ 54917 70393 89765 115378 128610 135917 HOMOSERINE (CAS# 672-15-1); (M+H)+ 13652 6833 10688 17721 11038 16231 HOMOSERINE (CAS# 672-15-1); (M+NA)+ 3444 HYPOXANTHINE (CAS# 68-94-0); (M+H)+ 27204 29945 HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ 1911 IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] 2364 INDOLE (CAS# 120-72-9); (2M+NA)+ 4535 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ 137112 142064 156591 168060 167831 150670 INOSINE (CAS# 58-63-9); (M+H)+ 3006 3083 4316 3549 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+ 4791 2736 ISOLEUCINE (CAS# 73-32-5); (M+H)+ 11100000 10700000 11700000 10700000 10900000 10700000 ISOLEUCINE (CAS# 73-32-5); (M+NA)+ 88672 77274 104507 82937 82141 87982 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ 1093192 1427913 1612894 1437003 1291427 1627824 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ 5644470 5703286 6463499 5294166 5436907 6437631 KYNURENINE (CAS# 343-65-7); (M+H)+ 76034 71966 82265 69844 68832 73392 KYNURENINE (CAS# 343-65-7); (M+NA)+ 1605 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ 6768 11636 10688 11581 11618 12568 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] 160727 148048 178855 210592 126387 142608 L-ARGININE (CAS# 74-79-3); (M+NA)+ 7167 8199 6046 7067 7086 L-CARNITINE (CAS# 541-15-1); (M+H)+ 646162 685530 733052 738046 645877 658990 L-HISTIDINE (CAS# 71-00-1); (M+H)+ 2030 4396 L-HISTIDINOL (CAS# 4836-52-6); (M+NA)+ 7112 8029 9167 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ 2877047 3740868 4160531 3718094 3376189 4158096 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+ 2745859 3312935 3597064 3364274 3075301 3565578 LACTOSE (CAS# 63-42-3); (M+K)+ 56880 12131 19020 14199 18207 12724 LACTOSE (CAS# 63-42-3); (M+NA)+ 70368 14504 19332 18659 19307 22382 LANOSTEROL (CAS# 79-63-0); (M+NA)+ 2583 2247 LANTHIONINE (CAS# 3183-08-2); (M+H)+ 4929 6000 6866 4516 4715 LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ 1040 1685 LEUCINE (CAS# 328-39-2); (M+H)+ 13400000 14600000 15500000 14800000 14800000 14900000 LEUCINE (CAS# 328-39-2); (M+NA)+ 98646 105189 104507 82937 85641 88087 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ 7306 9727 9655 9755 10307 7838 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ 2609 3811 LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ 5559 25668 LUMICHROME (CAS# 1086-80-2); (M+NA)+ 18426 24700 28874 25275 25714 21701 LYSINE (CAS# 56-87-1); (M+H)+ 4281 4089 5355 4897 6326 4925 MALATE (CAS# 636-61-3); (M+NA)+ 412419 446917 365246 386753 414771 508606 MALEAMATE (CAS# 557-24-4); (M+H)+ 2016 7418 4296 7304 4717 3454 MALTOSE (CAS# 69-79-4); (M+NA)+ 80320 16574 20797 17155 22298 22267 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ 3953 3032 1853 MELATONIN (CAS# 73-31-4); (M+NA)+ 2793 2505 MELIBIOSE (CAS# 585-99-9); (M+K)+ 57816 12131 19020 14199 18207 12724 MELIBIOSE (CAS# 585-99-9); (M+NA)+ 70368 16070 18706 17155 22298 22382 METHIONINE (CAS# 63-68-3); (M+H)+ 912839 871006 942810 1266437 1265766 1206447 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ 2702 METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ 106328 138388 156324 176155 151557 150161 METHYLMALONATE (CAS# 516-05-2); (M+NA)+ 25357 31066 27432 24529 28090 27965 MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ 4966 10858 3903 4086 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ 46180 24343 30798 30801 MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ 268548 323015 303499 338694 365295 375558 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+ 1588 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] 112834 76472 94575 104269 94463 56173 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ 158760 157617 173029 195780 199812 186342 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] 58417 58479 61217 67258 74969 64111 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ 291745 392964 357761 445094 481949 473629 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ 204883 232476 270382 423065 414045 420638 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] 82251 73772 87022 133857 130183 135174 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ 1469292 1328284 1566897 2394976 2482652 2535128 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ 680326 590904 751645 901063 869550 704743 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] 439517 1874613 885057 1002011 992246 861074 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ 274795 283216 249676 455234 496405 652665 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ 46706 45300 41083 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] 4223 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ 115002 127747 111290 127121 130628 143818 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+ 45869 48296 55067 80320 79621 73181 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] 37061 35280 32074 59566 60802 54663 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ 53776 82485 71676 124309 144512 162677 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+H)+ 2170 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ 1392 1514 1604 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ 6909 8138 9261 8775 9716 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ 2794 1958 5491 4892 4469 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] 112834 82813 94575 102255 94463 56173 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ 29187 14058 32530 30790 29094 19374 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ 63843 66012 48066 64270 66336 64126 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H)+ 2290 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+NA)+ 2665 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ 8228 11334 11268 11561 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ 7920 8333 5724 5924 5034 8806 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ 38236 32075 26140 25330 21449 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ 1128069 1047467 1309720 2404441 2261468 1660659 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ 303304 313068 290654 305809 320259 334417 N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] 21160 20593 20072 18550 18208 N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ 40380 9930 30415 48385 46362 44371 N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ 38942 41894 21654 19745 50002 80886 NAD (CAS# 53-84-9); (M+2H)+2 956251 973224 1033133 1853436 1982548 808460 NAD (CAS# 53-84-9); (M+H)+ 3217042 4362951 4975237 5810174 5817265 3669350 NAD (CAS# 53-84-9); (M+NA)+ 152725 162697 142736 207229 245164 265684 NICOTINAMIDE (CAS# 98-92-0); (M+H)+ 1310626 1088117 1329619 1262423 1482011 994314 NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+ 4956 2954 2820 NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ 1820 1533 NICOTINE (CAS# 54-11-5); (M+H)+ 16252 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M+H)+ 1124 NORLEUCINE (CAS# 327-57-1); (M+H)+ 14400000 13800000 15200000 14800000 15000000 14900000 NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] 12900000 12300000 13900000 12500000 12900000 12700000 NORVALINE (CAS# 6600-40-4); (M+H)+ 1724017 1642428 1885272 1761619 1809780 1567653 NORVALINE (CAS# 6600-40-4); M+[-CO2H] 1360266 1306483 1457628 1394811 1428892 1261496 O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ 5672291 5572353 6175881 6995974 7329369 7335389 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+ 6674 9137 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+ 18638 21477 29677 38634 39882 36016 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+ 9740 86918 5681 101946 100379 19377 O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+ 23703 21477 27797 38634 39016 36445 O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+ 8696 87693 5681 6934 11319 89330 OLEAMIDE (CAS# 301-02-0); (M+H)+ 3911 10457 OLEIC ACID (CAS# 112-80-1); (M+H)+ 4218 4622 OLEIC ACID (CAS# 112-80-1); (M+NA)+ 682386 1427792 1285193 644514 1383938 610668 OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ 304616 358598 427060 871931 861989 781505 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 9859245 6612245 9645981 6110058 6178238 5432479 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ 10400000 7521690 10000000 7589458 7940973 6891647 PALATINOSE (CAS# 343336-76-5); (M+NA)+ 80206 16574 17039 16559 21909 22267 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ 2178 1091 3346 2658 5300 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ 1296 2150 PANTOLACTONE (CAS# 599-04-2); (M+H)+[-H2O] 1947 1641 2591 PANTOTHENATE (CAS# 79-83-4); (M+H)+ 3882652 4619794 4931595 6625800 6703808 7115810 PANTOTHENATE (CAS# 79-83-4); (M+NA)+ 4246610 4091702 4357432 5397087 5596808 5626230 PARAXANTHINE (CAS# 611-59-6); (M+NA)+ 14525 10596 15666 14588 17205 13732 PHENYL ACETATE (CAS# 122-79-2); (M+H)+ 8688 PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ 8476 PHENYLALANINE (CAS# 63-91-2); (M+H)+ 12900000 12300000 13900000 12500000 12900000 12700000 PHENYLALANINE (CAS# 63-91-2); (M+NA)+ 154617 153189 169659 149489 156679 136631 PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+ 92967 92296 100316 89109 75251 45346 PHTHALATE (CAS# 88-99-3); (M+NA)+ 10130 4474 4970 3912 6057 4576 PINITOL (CAS# 10284-63-6); (M+NA)+ 2702 PIPECOLATE (CAS# 535-75-1); (M+NA)+ 128195 121313 181802 162604 219518 189450 PROLINE (CAS# 147-85-3); (M+H)+ 5181208 4964259 5738070 4801724 4668158 3875291 PROLINE (CAS# 147-85-3); (M+NA)+ 166756 195204 193338 157177 163862 189793 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] 2190 3242 1308 4927 5424 PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ 16160 11045 23525 5494 7381 11936 PURINE (CAS# 120-73-0); (M+NA)+ 4076 PYRIDOXAL (CAS# 66-72-8); (M+H)+ 52833 31734 40301 56492 48200 48724 PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+ 41975 59804 63689 43898 40891 45569 PYRIDOXINE (CAS# 65-23-6); (M+H)+ 1313341 1263008 1447395 1386613 1486084 1452390 PYRROLE-2-CARBOXYLIC ACID (CAS# 634-97-9); (M+H)+ 1455 3100 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ 118944 107202 75449 128101 121650 109586 RAFFINOSE (CAS# 512-69-6); (M+K)+ 2868 3291 4180 3074 2446 1967 RAFFINOSE (CAS# 512-69-6); (M+NA)+ 4858 1564 2801 RETINOATE (CAS# 302-79-4); (M+H)+ 1110 RIBITOL (CAS# 488-81-3); (M+NA)+ 5897 8038 8707 9062 9222 7608 RIBOFLAVIN (CAS# 83-88-5); (M+H)+ 16401 17936 21764 24529 28509 30332 RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ 19458 24822 30602 34807 42347 43619 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ 229377 199152 222128 186326 189489 195178 S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ 718336 765216 687053 514168 557558 566613 SALICYLAMIDE (CAS# 65-45-2); (M+H)+ 68827 SARCOSINE (CAS# 107-97-1); (M+H)+ 135766 131957 157631 67642 69317 58892 SEBACIC ACID (CAS# 111-20-6); (M+NA)+ 4675 SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ 9224 6242 SERINE (CAS# 56-45-1); (M+H)+ 66147 60859 3064 108306 110462 4830 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ 2324303 2314460 2557159 2987273 2807329 2313550 SORBIC ACID (CAS# 110-44-1); (M+H)+ 1969 1620 3329 SPERMIDINE (CAS# 124-20-9); (M+H)+ 725850 798199 562148 824690 828694 905018 SPERMIDINE (CAS# 124-20-9); (M+NA)+ 2465 4329 1838 3544 2589 4579 SPERMINE (CAS# 71-44-3); (M+H)+ 20993 15707 8768 12977 11292 11931 SPHINGANINE (CAS# 764-22-7); (M+H)+ 10496 17052 7983 13123 SPHINGANINE (CAS# 764-22-7); (M+NA)+ 29994 34730 14705 28230 SPHINGOSINE (CAS# 123-78-4); (M+H)+ 4723 1516 3317 1047 3741 STACHYOSE (CAS# 54261-98-2); (M+K)+ 1646 STACHYOSE (CAS# 54261-98-2); (M+NA)+ 4446 3241 SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] 3709 SUBERIC ACID (CAS# 505-48-6); (M+NA)+ 78740 28835 26613 32700 SUCROSE (CAS# 57-50-1); (M+NA)+ 80320 16574 19244 17155 22298 22382 TAURINE (CAS# 107-35-7); (M+H)+ 70554 81051 86316 15665 TAURINE (CAS# 107-35-7); (M+K)+ 3343 4519 14371 5452 1702 TAURINE (CAS# 107-35-7); (M+NA)+ 65985 67266 70096 88304 91261 82070 TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ 1349 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] 6197 1766 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ 2844 4871 2169 THEOBROMINE (CAS# 83-67-0); (M+H)+ 2655 THEOBROMINE (CAS# 83-67-0); (M+NA)+ 14850 15596 14655 14753 THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ 3195 16042 17617 5693 11317 14602 THIAMIN (CAS# 59-43-8); M+ 355975 303740 386381 432538 437172 436046 THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] 75945 71855 77402 95566 102835 100001 THREONINE (CAS# 72-19-5); (M+H)+[-H2O] 150137 148048 178969 63857 75349 142608 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA)+ 66690 65849 20609 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)+ 3310 1704 1395 3673 TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ 13109 15729 23513 25294 20294 10787 TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ 17722 19921 20977 TRYPTOPHAN (CAS# 73-22-3); (M+H)+ 1960412 2281304 2755957 2211084 2450980 2431648 TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ 115340 108923 129567 106204 104991 TYROSINE (CAS# 60-18-4); (M+H)+ 5055252 5224982 5437368 4979709 TYROSINE (CAS# 60-18-4); (M+NA)+ 11452 14768 11498 13133 15794 12960 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O] 9200 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+ 301850 301229 301130 362189 341646 283150 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ 1143 13070 14635 15734 11987 13350 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+ 6921 16475 5092 9608 7947 10030 UNK_100.0015@0.49875987 205999 210615 203690 202742 208437 216807 UNK_101.048@0.6298694 155811 120012 180119 211985 194414 143411 UNK_1012.5974@22.270668 77896 106441 60203 27433 63788 40455 UNK_1018.6738@23.364573 288472 23584 28540 19071 23092 24991 UNK_102.032@1.650199 21787 18536 14952 UNK_102.0473@2.5260372 191475 173255 194722 180580 185600 189624 UNK_103.0458@1.6389135 55396 92259 104447 132443 138576 132715 UNK_103.1001@0.62851983 123172 119122 141398 155680 141876 124198 UNK_1034.6711@23.028915 218355 26056 33813 24005 21471 26332 UNK_1040.517@21.986208 20433 7368 31888 7691 5172 7974 UNK_105.0428@0.83551973 65478 66847 73825 124151 116096 92667 UNK_1056.619@22.275305 71859 101292 55109 36490 63845 44904 UNK_106.042@2.5256057 46990 40863 48497 44418 45481 46989 UNK_1062.7032@23.35813 387015 26537 31129 22955 26419 30228 UNK_1064.528@21.99402 15344 13936 33822 9129 7279 10342 UNK_1066.6251@19.86101 57361 43675 72069 32454 22427 63591 UNK_1078.6979@23.022303 340440 26380 28311 16230 17350 26089 UNK_1100.6532@22.279182 45227 85481 57182 25960 59768 37850 UNK_1100.6552@22.022757 6765 UNK_1106.7358@23.348862 628773 UNK_1122.7231@23.019339 345238 20343 23650 12661 14462 19079 UNK_113.0836@4.372637 11025 11398 13405 14155 13027 UNK_1134.6115@19.86205 26920 31421 52789 22095 18178 39466 UNK_1144.6672@22.285082 22692 57135 27265 14078 41127 18089 UNK_115.0637@0.6891997 5100383 5093269 5956861 4983612 4843826 4047385 UNK_1150.7566@23.341219 522108 34068 36760 31296 29427 34011 UNK_1166.7478@23.014084 348263 19521 24424 15047 16016 18719 UNK_117.0794@0.87539965 1747463 1747023 1693685 1603259 1849586 1633210 UNK_117.1145@0.8002499 40851 34822 2574 UNK_118.0288@3.8647523 66450 71755 72845 69026 68865 70021 UNK_118.0572@3.6159928 23954 40701 51547 43561 42791 47456 UNK_119.0737@2.5264368 5640920 6596231 7439860 6547269 6854912 6891527 UNK_1194.7811@23.332138 705200 34164 37659 26911 30018 33881 UNK_120.057@1.2907077 21764 24269 31266 30083 32402 28601 UNK_1210.774@23.010979 311809 19986 22609 15341 14045 18126 UNK_122.0484@1.1245996 1340923 1092272 1374494 1312622 1477244 1067161 UNK_1232.7028@22.292965 11318 23627 11517 15811 9237 UNK_1238.8073@23.326616 474474 32261 35619 26189 30309 30677 UNK_124.0631@1.8165985 274323 312231 405292 587796 503030 658727 UNK_125.015@0.6830415 169033 155541 56014 184023 172112 103257 UNK_1254.8077@23.004478 273126 UNK_126.0319@1.6344774 10010 6741 6191 88415 86537 80326 UNK_127.0633@5.533364 51955 68444 86097 51366 57930 68222 UNK_127.0986@7.963375 47062 38948 33606 34963 34057 28040 UNK_128.0114@0.82141644 3496 2520 1678 3494 2686 UNK_1282.8313@23.3193 409043 30839 33835 26837 26092 29277 UNK_129.0428@0.6258399 1249097 762031 1824810 1597113 1474036 1085743 UNK_129.1517@4.9191055 338579 183541 296035 268022 267651 302547 UNK_1298.8307@23.003298 177238 12779 20627 11382 16722 17823 UNK_130.0683@1.6804788 893759 1080534 1194029 1081507 999320 1123956 UNK_1306.4921@21.512877 31711 33558 30852 32459 33932 30352 UNK_131.0697@0.6613999 2892281 2891779 3294816 1862013 1893080 1668424 UNK_131.0947@1.6058389 14500000 14700000 15600000 14900000 14900000 15000000 UNK_1312.5106@21.513195 21104 22221 21595 23230 22421 21635 UNK_132.0264@0.4957999 22835 19210 17626 19629 19226 22627 UNK_1326.8612@23.309338 357451 UNK_133.0377@0.74731994 3686 58464 66181 42249 38413 3017 UNK_133.0516@1.1439162 45890 32153 48476 44624 47865 50828 UNK_133.0976@1.3298455 50239 56066 65678 96634 66297 UNK_134.0944@4.403068 503802 491404 597643 411651 440992 520028 UNK_135.0547@3.8666718 1200371 1233283 1211137 1189126 1188441 1290788 UNK_135.0556@4.4859877 213858 214106 228333 203955 204355 286421 UNK_135.0632@4.518358 398894 414418 319140 372146 382179 391001 UNK_135.0685@1.3021992 1200067 1217777 1335405 1227447 1293491 1176854 UNK_136.0408@0.7877999 36358 17093 2362 UNK_1364.1659@1.0244398 10022 10335 12115 24282 25989 7159 UNK_1368.1942@1.8354388 18048 18552 19871 31888 34805 49416 UNK_137.048@5.4099755 15546 3848 2810 3740 27669 UNK_137.9955@1.0250397 110527 56816 53203 67762 66246 117082 UNK_1370.8854@23.303808 288815 24224 32313 18357 20313 25774 UNK_1374.4803@21.514475 31787 28776 29769 31116 28807 33275 UNK_138.0437@1.0804998 92106 14534 23307 15891 49961 UNK_138.0455@5.358822 3288915 3407118 3642132 3164685 3063748 3597684 UNK_1380.1396@1.0251197 5943 27706 34499 96110 97626 26432 UNK_1384.1682@1.8377186 12918 22955 24120 40878 43634 59016 UNK_1399.7493@26.33055 84289 64090 99093 82780 83142 123329 UNK_140.0584@0.81791985 31502 26240 32572 34404 34267 36261 UNK_141.0251@0.9646797 118707 144546 150445 118250 122271 97118 UNK_141.9402@0.67727256 71659 99655 31829 67754 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635237 666063 UNK_946.5837@22.265068 15285 20532 15134 6819 13913 6754 UNK_946.6179@23.036863 103644 17201 12773 7509 9347 9729 UNK_947.4478@24.111952 19870 17277 15939 16699 17083 17363 UNK_947.5021@24.982399 82982 94599 57755 102880 100084 87982 UNK_947.5471@24.519495 51497 68501 47288 77213 70022 70919 UNK_947.5793@26.47979 59727 55065 58062 50111 57265 67006 UNK_949.4657@23.916218 87257 91012 111745 45343 61852 82982 UNK_949.565@25.052967 32110 37288 27033 39777 40895 44064 UNK_951.5513@24.889486 57014 12768 61251 20266 52953 UNK_951.5547@25.176987 44723 55779 UNK_951.5844@25.257872 155507 171636 139724 169267 162192 175154 UNK_951.5865@23.68465 11006 8545 14169 2960 5021 8205 UNK_952.3097@21.513515 32231 32457 30002 31956 33081 29359 UNK_953.4943@24.66969 50863 51656 31472 96723 95010 77034 UNK_953.6084@25.823538 413125 292063 210894 163080 252222 180322 UNK_953.6086@26.045187 163160 178117 115357 89421 151724 UNK_953.6093@25.825563 340374 355026 283341 UNK_954.5522@21.985277 27689 95565 27638 60444 21601 19634 UNK_955.4823@23.927843 158067 89696 144136 111874 58178 129376 UNK_955.5182@23.397524 48772 32892 17595 28116 51845 UNK_957.4913@24.223778 225482 250365 175595 227971 209164 261770 UNK_957.5485@25.371908 65660 50591 67141 87860 UNK_958.3284@21.513878 40963 40852 41153 43243 43633 41689 UNK_959.4919@24.523623 136374 UNK_959.4983@24.643608 134655 204758 95480 210844 159035 171384 UNK_959.5002@24.657646 94674 35744 75835 214173 215279 190817 UNK_959.5012@24.467506 88585 UNK_959.5725@26.095314 99358 72791 114321 61333 44157 87930 UNK_959.6567@23.52007 232148 428413 233238 792518 322789 237651 UNK_961.5033@23.923288 39101 33177 40378 31165 35652 30037 UNK_963.5126@24.2361 32495 82085 62302 81417 105510 73032 UNK_963.514@24.26466 28117 43590 61455 103777 71632 72361 UNK_963.5302@25.628653 172791 167874 155208 192988 159901 164210 UNK_965.5274@24.467562 91081 110270 64868 130319 140251 119246 UNK_965.5305@25.310349 182009 199142 208915 88125 46606 102756 UNK_967.5287@23.935175 30821 27140 36394 29706 29242 39351 UNK_967.5389@25.030802 31239 44564 28970 54414 76096 28794 UNK_967.5412@24.722912 19619 15716 6464 34867 33774 78673 UNK_967.5436@24.719791 8811 67361 25900 UNK_967.5491@25.04056 145356 UNK_967.5519@25.635647 62864 64332 59383 94465 69753 92618 UNK_968.5659@22.264788 94110 122091 74394 37560 75861 48693 UNK_969.5329@24.098646 22698 25998 24569 30816 28257 28430 UNK_969.559@25.234268 306414 336671 263965 330429 326386 345416 UNK_970.1909@0.9925596 66930 72252 69624 32462 37060 49180 UNK_970.6328@26.466873 222083 182738 140379 143910 158214 195877 UNK_971.4473@23.923164 29552 17900 20628 8376 6205 20194 UNK_971.5034@24.497875 39923 55142 41714 35384 88399 UNK_971.5479@25.308546 194573 179643 168706 141348 145480 165677 UNK_971.5794@25.813536 462282 409346 457790 396531 396515 456346 UNK_973.459@24.240131 31910 44551 25350 37717 34164 41662 UNK_973.5028@25.093033 102514 21228 183307 38814 120178 UNK_973.5978@26.717989 151420 119281 132961 149856 176238 192271 UNK_974.6553@23.378145 209994 19467 20593 17420 18037 UNK_975.483@24.681387 9688 10755 5427 30271 25955 31753 UNK_977.4888@24.397633 111054 150507 95220 121325 108462 123088 UNK_977.596@25.922123 126323 137155 149946 77137 83343 110167 UNK_979.5053@24.838282 161556 170152 121979 167917 158940 158027 UNK_980.6578@19.86205 41423 41726 52787 40812 26413 49175 UNK_981.5171@25.431816 73683 126546 43270 76118 69052 30971 UNK_982.6717@19.52124 160122 151646 201920 129384 85592 197568 UNK_983.4992@24.408632 93046 177156 79431 181671 101253 166837 UNK_985.5192@24.85523 196120 194038 146771 190349 198786 185385 UNK_986.3619@21.706057 13585 15086 13404 16445 17187 15966 UNK_987.5211@25.225645 62776 UNK_987.5248@25.433 195164 199083 146905 201978 180960 198805 UNK_987.5248@25.650503 29767 UNK_987.5259@25.43293 204110 161768 202523 182307 UNK_988.4683@23.70757 25035 15479 29354 14409 9998 18457 UNK_988.5999@26.46303 27236 14017 43608 15429 33836 UNK_989.5202@24.402885 26274 14660 36170 31420 27664 UNK_989.5406@25.815554 145010 135900 160558 118184 123386 147161 UNK_99.0688@0.9930949 77917 132832 154810 9773 10348 224722 UNK_990.481@24.019445 67363 46209 54947 72030 66785 86416 UNK_990.6453@23.034817 143590 12631 18471 10480 11466 16337 UNK_992.1727@0.99579954 56327 60379 51735 29026 31603 44626 UNK_992.6157@26.450838 102020 106844 51038 91430 97459 94982 UNK_993.4575@24.107616 54347 47007 54943 34002 37338 52003 UNK_993.543@25.144325 74972 74199 83436 98403 UNK_993.5656@25.825745 54457 58142 45382 65067 48527 61400 UNK_993.7099@25.550016 21625 16204 27071 12536 10550 10934 UNK_993.7161@23.048468 44332 59132 71408 115997 60498 30096 UNK_995.571@25.501715 148153 162261 139277 199886 107710 143046 UNK_995.5725@25.500185 251123 135172 56609 110468 92925 205815 UNK_995.5782@26.749582 58136 46466 38343 52916 57325 62601 UNK_996.4899@24.010767 58252 50589 40481 44968 46772 50789 UNK_998.573@21.998728 67362 36789 21054 23931 UNK_998.5753@22.339357 4202 UNK_999.4765@24.406672 27105 31248 18071 21736 20707 27948 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+ 8450 6206 8344 7618 8404 URATE (CAS# 69-93-2); (M+H)+ 18441 17798 29736 30075 28304 URIDINE (CAS# 58-96-8); (M+H)+ 2270 2915 URIDINE (CAS# 58-96-8); (M+NA)+ 2496 2104 1199 4493 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+ 32405 1439 1138 4890 4071 4595 UROCANATE (CAS# 104-98-3); (M+H)+ 85385 12958 17637 15136 25122 20755 VALINE (CAS# 72-18-4); (M+H)+ 1709565 1642428 1836906 1805526 1808187 1567653 VALINE (CAS# 72-18-4); (M+NA)+ 3415 13780 17343 20634 XANTHINE (CAS# 69-89-6); (M+H)+ 132177 153516 188566 149302 175630 142487 XANTHOSINE (CAS# 146-80-5); (M+H)+ 5736 5646 5724 5873 6149 5729 XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O] 3299 5603 5371 6217 ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ 22600000 23400000 24900000 23000000 21600000 24600000 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type (-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ 179.0952 1.492 7157331 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M+H)+ 158.0321 0.77 1149667 1-(5'-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMIDE (CAS# 3031-94-5); (M+H)+ 338.0643 0.832 65110 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 101.0481 0.86 5460234 1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ 281.1113 2.999 27476 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] 356.2892 22.847 5283468 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ 356.2925 22.689 5283468 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ 188.1427 13.437 6991989 11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ 346.215 15.74 440707 16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ 495.33 22.241 460602 16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ 495.3325 22.25 460602 16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ 761.5901 25.437 18631368 16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ 761.5935 25.434 18631368 18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ 481.3138 22.65 9547068 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1); (M+H)+ 307.0543 0.727 13945 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ 267.0955 1.775 187790 2-AMINO-2-METHYLPROPANOATE (CAS# 62-57-7); (M+H)+ 103.0624 1.394 22316286 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ 164.0698 0.763 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M+NA)+ 118.0639 3.541 853180 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)+ 150.0349 3.384 11427 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+ 146.0568 4.09 12046 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ 146.0587 3.562 12046 2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] 87.069 1.14 9023 20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ 551.3897 23.185 24779473 20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ 551.3976 22.963 24779473 3'-CMP (CAS# 63-37-6); (M+H)+ 323.0495 0.785 66535 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ 182.0589 3.804 9378 3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 103.0636 1.821 64956 3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ 145.1098 0.665 725 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ 162.0526 1.649 1662 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+[-H2O] 162.0541 1.649 1662 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ 162.0535 1.645 1662 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] 122.0372 4.825 101 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+ 224.0775 1.457 11811 3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ 211.0829 2.002 9307 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ 146.0587 3.562 12284 3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+ 149.0715 0.926 1673 3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ 166.0498 2.241 70639 3-PHOSPHOGLYCERATE (CAS# ); (M+NA)+ 185.9923 0.779 439183 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 145.0743 1.82 18189 4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ 137.0478 2.775 978 4-AMINOBUTANOATE (CAS# 56-12-2); (M+H)+ 103.0624 1.24 119 4-COUMARATE (CAS# 501-98-4); (M+NA)+ 164.0464 6.9 637542 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ 189.0419 4.923 3845 4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O] 154.0641 3.911 62348 4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ 131.0592 0.622 440015 4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ 173.0476 3.302 10243 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+ 251.1023 2.752 439182 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 297.0898 4.467 439176 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 297.0897 4.469 439176 5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ 131.0592 0.622 137 5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 117.0787 0.652 138 5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ 129.0427 1.177 7405 5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ 129.0436 1.179 7405 5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] 386.3545 24.594 65728 ABRINE (CAS# 526-31-8); (M+H)+ 218.107 3.591 160511 ACETYLCHOLINE (CAS# 51-84-3); M+ 146.1173 3.929 187 ADENINE (CAS# 73-24-5); (M+H)+ 135.0547 0.883 190 ADENOSINE (CAS# 58-61-7); (M+H)+ 267.0955 1.776 60961 ADENOSINE 5'-DIPHOSPHATE (CAS# 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5960 AZELAIC ACID (CAS# 123-99-9); (M+NA)+ 188.1055 10.785 2266 BETA-ALANINE (CAS# 107-95-9); (M+H)+ 89.0483 0.662 239 BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ 342.1159 0.734 439186 BETAINE (CAS# 107-43-7); (M+H)+ 117.0787 0.649 247 BETAINE (CAS# 107-43-7); (M+NA)+ 117.0786 0.544 247 BILIVERDIN (CAS# 114-25-0); (M+H)+ 582.2506 18.482 5280353 BILIVERDIN (CAS# 114-25-0); (M+NA)+ 582.2493 18.486 5280353 BIOTIN (CAS# 58-85-5); (2M+NA)+ 244.0893 6.278 11966127 BIOTIN (CAS# 58-85-5); (M+H)+ 244.0889 6.278 11966127 BIOTIN (CAS# 58-85-5); (M+H)+[-H2O] 244.0903 6.279 11966127 BIOTIN (CAS# 58-85-5); (M+NA)+ 244.0894 6.278 11966127 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ 390.2779 23.083 8343 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ 390.2771 23.082 8343 BIURET (CAS# 108-19-0); (M+NA)+ 103.0383 1.089 7913 BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+ 189.1019 9.51 85082 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+[-H2O] 643.5056 23.2 46891735 CAFFEINE (CAS# 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D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] 179.0803 0.863 3034366 D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O] 132.0888 0.496 6262 D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] 180.0631 0.734 90008 DAMP (CAS# 653-63-4); (M+H)+ 331.0668 0.94 12599 DECANOATE (CAS# 334-48-5); (2M+NA)+ 172.1451 22.766 2969 DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+ 174.0152 0.78 210328 DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] 174.0148 1.027 210328 DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+ 251.1025 1.849 13730 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ 392.2951 21.56 222528 DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ 227.0922 1.264 13711 DEPHOSPHO-COA (CAS# 3633-59-8); (M+2H)+2 687.1482 3.808 444485 DEPHOSPHO-COA (CAS# 3633-59-8); (M+H)+ 687.1442 3.831 444485 DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+ 214.1326 8.517 445027 DGDP (CAS# 653-63-4); (M+H)+ 427.0281 1.192 439220 DGMP (CAS# 902-04-5); (M+H)+ 347.0618 1.256 6994968 DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ 218.1141 5.664 90495 DIMETHYL MALEATE (CAS# 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(M+NA)+ 449.3138 20.316 9548796 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ 433.3218 21.825 115245 GUANINE (CAS# 73-40-5); (M+H)+ 151.0485 0.969 764 GUANOSINE (CAS# 118-00-3); (M+H)+ 283.0944 1.799 6802 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+H)+ 589.0801 0.917 451 GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+NA)+ 589.0813 0.915 451 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+ 363.0582 0.929 6804 HIPPURATE (CAS# 495-69-2); (M+NA)+ 179.0584 4.825 464 HOMOSERINE (CAS# 672-15-1); (M+H)+ 119.0593 0.705 12647 HOMOSERINE (CAS# 672-15-1); (M+NA)+ 119.0588 0.628 12647 HYPOXANTHINE (CAS# 68-94-0); (M+H)+ 136.0397 0.927 790 HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ 136.0389 0.818 790 IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] 236.1038 12.858 10444113 INDOLE (CAS# 120-72-9); (2M+NA)+ 117.0569 6.531 798 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ 159.0682 1.784 800 INOSINE (CAS# 58-63-9); (M+H)+ 268.0828 1.756 6021 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M+H)+ 348.0437 1.326 8582 ISOLEUCINE (CAS# 73-32-5); (M+H)+ 131.0947 1.507 6306 ISOLEUCINE (CAS# 73-32-5); (M+NA)+ 131.0944 1.595 6306 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ 210.1256 13.187 5281166 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ 210.1256 13.188 5281166 KYNURENINE (CAS# 343-65-7); (M+H)+ 208.0839 2.198 161166 KYNURENINE (CAS# 343-65-7); (M+NA)+ 208.0833 2.195 161166 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ 119.0593 0.705 99289 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] 119.0586 0.629 99289 L-ARGININE (CAS# 74-79-3); (M+NA)+ 174.111 0.576 6322 L-CARNITINE (CAS# 541-15-1); (M+H)+ 161.1051 0.641 10917 L-HISTIDINE (CAS# 71-00-1); (M+H)+ 155.0683 0.718 6274 L-HISTIDINOL (CAS# 4836-52-6); (M+NA)+ 141.0892 0.854 165271 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ 206.084 3.616 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+ 138.0454 5.359 227 LACTOSE (CAS# 63-42-3); (M+K)+ 342.1163 0.73 440995 LACTOSE (CAS# 63-42-3); (M+NA)+ 342.1159 0.734 440995 LANOSTEROL (CAS# 79-63-0); (M+NA)+ 426.389 23.318 246983 LANTHIONINE (CAS# 3183-08-2); (M+H)+ 208.0513 0.915 102950 LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ 343.2706 17.956 168381 LEUCINE (CAS# 328-39-2); (M+H)+ 131.0947 1.606 6106 LEUCINE (CAS# 328-39-2); (M+NA)+ 131.0944 1.604 6106 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ 336.2283 20.721 5280492 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ 336.2326 20.748 5280492 LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ 376.2944 22.401 9903 LUMICHROME (CAS# 1086-80-2); (M+NA)+ 242.0818 10.929 5326566 LYSINE (CAS# 56-87-1); (M+H)+ 146.1049 0.514 5962 MALATE (CAS# 636-61-3); (M+NA)+ 134.0217 0.778 222656 MALEAMATE (CAS# 557-24-4); (M+H)+ 115.0262 0.895 5280451 MALTOSE (CAS# 69-79-4); (M+NA)+ 342.1159 0.734 439186 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ 260.0286 0.701 439198 MELATONIN (CAS# 73-31-4); (M+NA)+ 232.1228 8.547 896 MELIBIOSE (CAS# 585-99-9); (M+K)+ 342.1163 0.73 440658 MELIBIOSE (CAS# 585-99-9); (M+NA)+ 342.1159 0.734 440658 METHIONINE (CAS# 63-68-3); (M+H)+ 149.0513 0.994 6137 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ 194.0799 0.909 94214 METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ 224.1402 16.11 5281929 METHYLMALONATE (CAS# 516-05-2); (M+NA)+ 118.0271 1.29 487 MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ 148.075 1.651 439230 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ 146.0587 3.562 73917 MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ 180.0634 0.616 892 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (2M+NA)+ 221.0921 0.699 446101 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] 221.0887 0.816 446101 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ 189.0637 1.281 185 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] 189.064 1.278 185 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ 189.0639 1.278 185 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ 191.0616 4.088 448580 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] 191.0614 4.089 448580 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ 191.0619 4.089 448580 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ 147.0532 0.824 65249 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] 147.0536 0.831 65249 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ 147.0542 0.804 65249 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ 131.0576 1.177 88064 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] 131.0582 1.701 88064 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ 131.0586 1.472 88064 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+ 175.0481 0.944 65065 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] 175.048 0.935 65065 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ 175.0489 0.94 65065 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+H)+ 324.0424 3.386 12035 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ 173.1037 7.23 75619 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ 173.1051 7.214 75619 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ 207.0906 7.735 74839 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] 221.0887 0.816 35717 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ 309.1067 0.743 439197 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ 309.1056 0.722 439197 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H)+ 174.0636 0.886 99715 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+NA)+ 174.0633 0.79 99715 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ 188.1149 0.893 92907 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ 127.0992 7.969 13017 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ 127.0987 7.964 13017 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ 147.0536 0.63 4376 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ 147.0541 0.639 4376 N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] 161.0698 2.029 439377 N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ 137.0476 0.468 5570 N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ 244.2252 0.729 916 NAD (CAS# 53-84-9); (M+2H)+2 663.1118 1.022 5893 NAD (CAS# 53-84-9); (M+H)+ 663.1094 1.006 5893 NAD (CAS# 53-84-9); (M+NA)+ 663.1081 1.024 5893 NICOTINAMIDE (CAS# 98-92-0); (M+H)+ 122.0484 1.125 936 NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+ 334.0559 1.033 14180 NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ 334.0557 0.677 14180 NICOTINE (CAS# 54-11-5); (M+H)+ 162.1149 1.246 157672 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-5); (M+H)+ 744.0543 1.885 52942300 NORLEUCINE (CAS# 327-57-1); (M+H)+ 131.0947 1.606 21236 NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] 183.0895 2.527 688100 NORVALINE (CAS# 6600-40-4); (M+H)+ 117.0794 0.875 65098 NORVALINE (CAS# 6600-40-4); M+[-CO2H] 117.08 0.876 65098 O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ 203.116 0.917 18230 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+ 185.0072 0.625 106 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+ 185.0082 0.828 106 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+ 185.0105 0.736 106 O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+ 185.0082 0.82 68841 O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+ 185.0106 0.719 68841 OLEAMIDE (CAS# 301-02-0); (M+H)+ 281.2694 22.605 5283387 OLEIC ACID (CAS# 112-80-1); (M+H)+ 282.2542 22.553 445639 OLEIC ACID (CAS# 112-80-1); (M+NA)+ 282.2565 22.532 445639 OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ 289.1273 1.208 7018721 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 612.1565 1.324 65359 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ 612.1519 1.333 65359 PALATINOSE (CAS# 343336-76-5); (M+NA)+ 342.1156 0.734 439559 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ 399.3314 21.286 11953816 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ 399.3333 21.287 11953816 PANTOLACTONE (CAS# 599-04-2); (M+H)+[-H2O] 130.0625 3.293 439368 PANTOTHENATE (CAS# 79-83-4); (M+H)+ 219.1106 3.294 6613 PANTOTHENATE (CAS# 79-83-4); (M+NA)+ 219.1107 3.295 6613 PARAXANTHINE (CAS# 611-59-6); (M+NA)+ 180.0648 4.266 4687 PHENYL ACETATE (CAS# 122-79-2); (M+H)+ 136.0535 3.911 999 PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ 136.0535 3.911 999 PHENYLALANINE (CAS# 63-91-2); (M+H)+ 165.0789 2.527 6140 PHENYLALANINE (CAS# 63-91-2); (M+NA)+ 165.0789 2.527 6140 PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+ 211.0362 0.65 9548602 PHTHALATE (CAS# 88-99-3); (M+NA)+ 166.0279 4.843 1017 PINITOL (CAS# 10284-63-6); (M+NA)+ 194.0799 0.909 164619 PIPECOLATE (CAS# 535-75-1); (M+NA)+ 129.0782 1.147 849 PROLINE (CAS# 147-85-3); (M+H)+ 115.0637 0.689 145742 PROLINE (CAS# 147-85-3); (M+NA)+ 115.0635 0.686 145742 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] 352.2246 16.911 5280360 PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ 562.262 22.832 4971 PURINE (CAS# 120-73-0); (M+NA)+ 120.0446 1.57 1044 PYRIDOXAL (CAS# 66-72-8); (M+H)+ 167.0566 1.198 1050 PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+ 247.0251 1.323 1051 PYRIDOXINE (CAS# 65-23-6); (M+H)+ 169.0739 1.142 1054 PYRROLE-2-CARBOXYLIC ACID (CAS# 634-97-9); (M+H)+ 111.0317 3.302 12473 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ 302.2449 22.135 79050 RAFFINOSE (CAS# 512-69-6); (M+K)+ 504.1702 0.886 439242 RAFFINOSE (CAS# 512-69-6); (M+NA)+ 504.1714 0.744 439242 RETINOATE (CAS# 302-79-4); (M+H)+ 300.2061 20.588 444795 RIBITOL (CAS# 488-81-3); (M+NA)+ 152.0679 0.643 94154 RIBOFLAVIN (CAS# 83-88-5); (M+H)+ 376.1385 7.611 493570 RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ 376.1393 7.611 493570 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ 384.1216 1.497 439155 S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ 398.1371 0.737 34755 SALICYLAMIDE (CAS# 65-45-2); (M+H)+ 137.0477 5.304 5147 SARCOSINE (CAS# 107-97-1); (M+H)+ 89.0483 0.662 1088 SEBACIC ACID (CAS# 111-20-6); (M+NA)+ 202.1221 13.009 5192 SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ 247.9316 0.511 115119 SERINE (CAS# 56-45-1); (M+H)+ 105.0429 0.916 617 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ 257.103 0.632 439285 SORBIC ACID (CAS# 110-44-1); (M+H)+ 112.0521 3.293 643460 SPERMIDINE (CAS# 124-20-9); (M+H)+ 145.1582 0.54 1102 SPERMIDINE (CAS# 124-20-9); (M+NA)+ 145.1572 0.543 1102 SPERMINE (CAS# 71-44-3); (M+H)+ 202.2153 0.533 1103 SPHINGANINE (CAS# 764-22-7); (M+H)+ 301.2954 20.954 644260 SPHINGANINE (CAS# 764-22-7); (M+NA)+ 301.2952 20.996 644260 SPHINGOSINE (CAS# 123-78-4); (M+H)+ 299.2811 20.388 5280335 STACHYOSE (CAS# 54261-98-2); (M+K)+ 666.2171 0.763 439531 STACHYOSE (CAS# 54261-98-2); (M+NA)+ 666.2187 0.772 439531 SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] 174.0907 8.303 10457 SUBERIC ACID (CAS# 505-48-6); (M+NA)+ 174.0907 8.307 10457 SUCROSE (CAS# 57-50-1); (M+NA)+ 342.1159 0.734 5988 TAURINE (CAS# 107-35-7); (M+H)+ 125.0157 0.734 1123 TAURINE (CAS# 107-35-7); (M+K)+ 125.0149 0.658 1123 TAURINE (CAS# 107-35-7); (M+NA)+ 125.0146 0.633 1123 TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ 515.2901 18.181 6675 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] 483.3013 22.079 439763 TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ 483.3048 21.876 439763 THEOBROMINE (CAS# 83-67-0); (M+H)+ 180.0661 3.46 5429 THEOBROMINE (CAS# 83-67-0); (M+NA)+ 180.0644 3.51 5429 THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ 180.0648 4.275 2153 THIAMIN (CAS# 59-43-8); M+ 265.1122 0.646 1130 THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] 265.1128 0.646 1130 THREONINE (CAS# 72-19-5); (M+H)+[-H2O] 119.0586 0.724 6288 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA)+ 322.0542 1.358 12803287 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)+ 322.0584 1.728 12803287 TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ 131.0592 0.622 5810 TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ 59.0738 0.735 1146 TRYPTOPHAN (CAS# 73-22-3); (M+H)+ 204.0898 3.615 6305 TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ 204.0898 3.616 6305 TYROSINE (CAS# 60-18-4); (M+H)+ 181.0739 1.302 6057 TYROSINE (CAS# 60-18-4); (M+NA)+ 181.0756 1.294 6057 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O] 607.0858 1.065 23724461 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+ 607.0807 0.784 23724461 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ 607.0794 1.362 445675 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+ 607.0774 1.446 445675 UNK_100.0015@0.49875987 100.0015 0.499 UNK_101.048@0.6298694 101.048 0.63 UNK_1012.5974@22.270668 1012.5974 22.271 UNK_1018.6738@23.364573 1018.6738 23.365 UNK_102.032@1.650199 102.032 1.65 UNK_102.0473@2.5260372 102.0473 2.526 UNK_103.0458@1.6389135 103.0458 1.639 UNK_103.1001@0.62851983 103.1001 0.629 UNK_1034.6711@23.028915 1034.6711 23.029 UNK_1040.517@21.986208 1040.517 21.986 UNK_105.0428@0.83551973 105.0428 0.836 UNK_1056.619@22.275305 1056.619 22.275 UNK_106.042@2.5256057 106.042 2.526 UNK_1062.7032@23.35813 1062.7032 23.358 UNK_1064.528@21.99402 1064.528 21.994 UNK_1066.6251@19.86101 1066.6251 19.861 UNK_1078.6979@23.022303 1078.6979 23.022 UNK_1100.6532@22.279182 1100.6532 22.279 UNK_1100.6552@22.022757 1100.6552 22.023 UNK_1106.7358@23.348862 1106.7358 23.349 UNK_1122.7231@23.019339 1122.7231 23.019 UNK_113.0836@4.372637 113.0836 4.373 UNK_1134.6115@19.86205 1134.6115 19.862 UNK_1144.6672@22.285082 1144.6672 22.285 UNK_115.0637@0.6891997 115.0637 0.689 UNK_1150.7566@23.341219 1150.7566 23.341 UNK_1166.7478@23.014084 1166.7478 23.014 UNK_117.0794@0.87539965 117.0794 0.875 UNK_117.1145@0.8002499 117.1145 0.8 UNK_118.0288@3.8647523 118.0288 3.865 UNK_118.0572@3.6159928 118.0572 3.616 UNK_119.0737@2.5264368 119.0737 2.526 UNK_1194.7811@23.332138 1194.7811 23.332 UNK_120.057@1.2907077 120.057 1.291 UNK_1210.774@23.010979 1210.774 23.011 UNK_122.0484@1.1245996 122.0484 1.125 UNK_1232.7028@22.292965 1232.7028 22.293 UNK_1238.8073@23.326616 1238.8073 23.327 UNK_124.0631@1.8165985 124.0631 1.817 UNK_125.015@0.6830415 125.015 0.683 UNK_1254.8077@23.004478 1254.8077 23.004 UNK_126.0319@1.6344774 126.0319 1.634 UNK_127.0633@5.533364 127.0633 5.533 UNK_127.0986@7.963375 127.0986 7.963 UNK_128.0114@0.82141644 128.0114 0.821 UNK_1282.8313@23.3193 1282.8313 23.319 UNK_129.0428@0.6258399 129.0428 0.626 UNK_129.1517@4.9191055 129.1517 4.919 UNK_1298.8307@23.003298 1298.8307 23.003 UNK_130.0683@1.6804788 130.0683 1.68 UNK_1306.4921@21.512877 1306.4921 21.513 UNK_131.0697@0.6613999 131.0697 0.661 UNK_131.0947@1.6058389 131.0947 1.606 UNK_1312.5106@21.513195 1312.5106 21.513 UNK_132.0264@0.4957999 132.0264 0.496 UNK_1326.8612@23.309338 1326.8612 23.309 UNK_133.0377@0.74731994 133.0377 0.747 UNK_133.0516@1.1439162 133.0516 1.144 UNK_133.0976@1.3298455 133.0976 1.33 UNK_134.0944@4.403068 134.0944 4.403 UNK_135.0547@3.8666718 135.0547 3.867 UNK_135.0556@4.4859877 135.0556 4.486 UNK_135.0632@4.518358 135.0632 4.518 UNK_135.0685@1.3021992 135.0685 1.302 UNK_136.0408@0.7877999 136.0408 0.788 UNK_1364.1659@1.0244398 1364.1659 1.024 UNK_1368.1942@1.8354388 1368.1942 1.835 UNK_137.048@5.4099755 137.048 5.41 UNK_137.9955@1.0250397 137.9955 1.025 UNK_1370.8854@23.303808 1370.8854 23.304 UNK_1374.4803@21.514475 1374.4803 21.514 UNK_138.0437@1.0804998 138.0437 1.08 UNK_138.0455@5.358822 138.0455 5.359 UNK_1380.1396@1.0251197 1380.1396 1.025 UNK_1384.1682@1.8377186 1384.1682 1.838 UNK_1399.7493@26.33055 1399.7493 26.331 UNK_140.0584@0.81791985 140.0584 0.818 UNK_141.0251@0.9646797 141.0251 0.965 UNK_141.9402@0.67727256 141.9402 0.677 UNK_1414.9163@23.296278 1414.9163 23.296 UNK_142.0736@1.781439 142.0736 1.781 UNK_143.0584@4.0887914 143.0584 4.089 UNK_143.058@1.2477593 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366.2554 23.222 UNK_366.274@22.766264 366.274 22.766 UNK_366.3066@23.180195 366.3066 23.18 UNK_367.4164@22.255747 367.4164 22.256 UNK_368.1238@8.515416 368.1238 8.515 UNK_368.1936@22.828482 368.1936 22.828 UNK_368.2251@23.171558 368.2251 23.172 UNK_368.2422@0.7525997 368.2422 0.753 UNK_368.2662@23.458 368.2662 23.458 UNK_368.2829@22.713324 368.2829 22.713 UNK_368.344@24.593803 368.344 24.594 UNK_370.1377@1.2938795 370.1377 1.294 UNK_370.1399@8.929848 370.1399 8.93 UNK_370.1766@21.502518 370.1766 21.503 UNK_370.1854@2.6865966 370.1854 2.687 UNK_370.2197@7.9810266 370.2197 7.981 UNK_371.0749@2.2934775 371.0749 2.293 UNK_371.2307@22.811295 371.2307 22.811 UNK_372.0498@12.767863 372.0498 12.768 UNK_372.1317@5.612699 372.1317 5.613 UNK_372.1913@21.472403 372.1913 21.472 UNK_372.2007@2.095318 372.2007 2.095 UNK_373.1234@1.3638393 373.1234 1.364 UNK_374.1073@1.9254384 374.1073 1.925 UNK_374.1906@1.1311595 374.1906 1.131 UNK_374.1906@1.2991993 374.1906 1.299 UNK_374.2428@22.069372 374.2428 22.069 UNK_374.9893@1.3761994 374.9893 1.376 UNK_375.2958@23.238546 375.2958 23.239 UNK_375.3079@22.559467 375.3079 22.559 UNK_375.3122@22.36934 375.3122 22.369 UNK_376.0385@15.094971 376.0385 15.095 UNK_376.1388@7.610033 376.1388 7.61 UNK_376.2611@22.304495 376.2611 22.304 UNK_377.1238@2.509588 377.1238 2.51 UNK_378.063@12.772486 378.063 12.772 UNK_378.2044@21.512236 378.2044 21.512 UNK_378.2749@22.6885 378.2749 22.689 UNK_379.105@1.7545187 379.105 1.755 UNK_379.141@2.944836 379.141 2.945 UNK_380.0726@0.7324399 380.0726 0.732 UNK_380.1262@13.490173 380.1262 13.49 UNK_380.2905@22.918072 380.2905 22.918 UNK_381.1638@1.8719583 381.1638 1.872 UNK_382.2113@17.936296 382.2113 17.936 UNK_383.1077@3.6209533 383.1077 3.621 UNK_383.1865@22.292553 383.1865 22.293 UNK_383.9188@0.51168 383.9188 0.512 UNK_384.1215@1.4973991 384.1215 1.497 UNK_384.1634@1.9595181 384.1634 1.96 UNK_384.1981@21.397127 384.1981 21.397 UNK_384.2007@21.777763 384.2007 21.778 UNK_384.2822@22.337103 384.2822 22.337 UNK_384.2835@22.561394 384.2835 22.561 UNK_385.9167@0.5306398 385.9167 0.531 UNK_386.1732@16.486963 386.1732 16.487 UNK_386.1736@17.521286 386.1736 17.521 UNK_386.2073@21.66814 386.2073 21.668 UNK_387.1684@1.7925586 387.1684 1.793 UNK_387.3428@23.59062 387.3428 23.591 UNK_388.1752@0.6563998 388.1752 0.656 UNK_388.2046@1.5758687 388.2046 1.576 UNK_390.1005@21.664783 390.1005 21.665 UNK_390.1833@0.9023198 390.1833 0.902 UNK_390.2772@23.082006 390.2772 23.082 UNK_392.1798@2.5990834 392.1798 2.599 UNK_392.2199@21.708258 392.2199 21.708 UNK_392.286@23.102251 392.286 23.102 UNK_392.2998@21.20303 392.2998 21.203 UNK_393.0847@1.5427191 393.0847 1.543 UNK_394.2721@21.68262 394.2721 21.683 UNK_394.3021@23.375961 394.3021 23.376 UNK_396.1555@1.1271496 396.1555 1.127 UNK_396.2367@23.152544 396.2367 23.153 UNK_396.2643@22.92051 396.2643 22.921 UNK_396.2811@21.799566 396.2811 21.8 UNK_398.0108@0.634476 398.0108 0.634 UNK_398.1371@0.7374399 398.1371 0.737 UNK_398.2115@21.498453 398.2115 21.498 UNK_398.2141@22.104126 398.2141 22.104 UNK_398.2461@21.876425 398.2461 21.876 UNK_398.2964@22.550112 398.2964 22.55 UNK_398.2987@23.182047 398.2987 23.182 UNK_400.112@1.2768689 400.112 1.277 UNK_400.1865@21.512236 400.1865 21.512 UNK_400.207@2.4424372 400.207 2.442 UNK_400.2586@22.427174 400.2586 22.427 UNK_400.258@22.430775 400.258 22.431 UNK_401.3482@21.226107 401.3482 21.226 UNK_402.0763@12.775365 402.0763 12.775 UNK_402.0793@5.6836176 402.0793 5.684 UNK_402.2751@22.541922 402.2751 22.542 UNK_402.2762@22.586689 402.2762 22.587 UNK_403.1993@16.486605 403.1993 16.487 UNK_404.0026@0.8049998 404.0026 0.805 UNK_404.1354@1.504599 404.1354 1.505 UNK_404.1903@0.9335235 404.1903 0.934 UNK_404.2011@1.1385596 404.2011 1.139 UNK_404.2538@21.66236 404.2538 21.662 UNK_405.3173@22.80325 405.3173 22.803 UNK_406.3028@22.945023 406.3028 22.945 UNK_407.0986@2.5878768 407.0986 2.588 UNK_407.0992@2.844316 407.0992 2.844 UNK_407.0995@2.502197 407.0995 2.502 UNK_407.3014@22.792366 407.3014 22.792 UNK_408.0795@1.3239993 408.0795 1.324 UNK_408.1553@17.521645 408.1553 17.522 UNK_408.1554@17.521645 408.1554 17.522 UNK_408.1556@15.478149 408.1556 15.478 UNK_408.1703@19.026028 408.1703 19.026 UNK_408.2482@17.867104 408.2482 17.867 UNK_408.3213@23.245989 408.3213 23.246 UNK_409.1031@1.1785411 409.1031 1.179 UNK_409.1588@1.8856387 409.1588 1.886 UNK_410.1711@3.6151533 410.1711 3.615 UNK_410.2984@22.970182 410.2984 22.97 UNK_411.1315@1.0270796 411.1315 1.027 UNK_412.1341@5.6222987 412.1341 5.622 UNK_412.1886@20.830671 412.1886 20.831 UNK_412.2592@23.08169 412.2592 23.082 UNK_412.3106@22.75393 412.3106 22.754 UNK_414.2021@21.708258 414.2021 21.708 UNK_414.2048@18.444656 414.2048 18.445 UNK_414.228@22.59817 414.228 22.598 UNK_415.2174@1.446559 415.2174 1.447 UNK_415.2207@6.5773273 415.2207 6.577 UNK_416.1522@21.512236 416.1522 21.512 UNK_416.2014@1.7869984 416.2014 1.787 UNK_417.215@16.486885 417.215 16.487 UNK_418.0511@12.772405 418.0511 12.772 UNK_418.2679@22.096128 418.2679 22.096 UNK_419.1579@1.4364994 419.1579 1.436 UNK_419.1898@1.3253593 419.1898 1.325 UNK_420.2255@21.440525 420.2255 21.441 UNK_420.2487@22.599312 420.2487 22.599 UNK_420.3267@22.075691 420.3267 22.076 UNK_421.1641@3.6255536 421.1641 3.626 UNK_422.1123@1.2037994 422.1123 1.204 UNK_422.3053@23.077677 422.3053 23.078 UNK_422.3168@23.259188 422.3168 23.259 UNK_422.3219@23.374733 422.3219 23.375 UNK_423.0937@1.1793594 423.0937 1.179 UNK_423.2722@22.764503 423.2722 22.765 UNK_424.1296@16.487644 424.1296 16.488 UNK_424.2075@21.833 424.2075 21.833 UNK_424.2581@22.438528 424.2581 22.439 UNK_424.261@22.463753 424.261 22.464 UNK_424.3127@22.873453 424.3127 22.873 UNK_424.3293@23.666733 424.3293 23.667 UNK_424.3311@23.558107 424.3311 23.558 UNK_425.0799@1.1779596 425.0799 1.178 UNK_426.081@8.516057 426.081 8.516 UNK_426.242@22.299614 426.242 22.3 UNK_426.2475@22.256739 426.2475 22.257 UNK_426.2493@22.419998 426.2493 22.42 UNK_426.2783@22.505957 426.2783 22.506 UNK_426.3306@22.92067 426.3306 22.921 UNK_426.3455@23.261293 426.3455 23.261 UNK_427.0303@0.7688398 427.0303 0.769 UNK_427.169@0.7969999 427.169 0.797 UNK_428.2221@21.882753 428.2221 21.883 UNK_428.2269@22.268509 428.2269 22.269 UNK_428.2569@22.211945 428.2569 22.212 UNK_428.2645@22.408413 428.2645 22.408 UNK_428.2867@22.691496 428.2867 22.691 UNK_428.3@22.337833 428.3 22.338 UNK_429.2224@2.074038 429.2224 2.074 UNK_429.3808@21.76401 429.3808 21.764 UNK_430.094@8.516416 430.094 8.516 UNK_430.1682@21.708298 430.1682 21.708 UNK_430.2327@21.884832 430.2327 21.885 UNK_431.2289@18.44049 431.2289 18.44 UNK_431.2305@16.489605 431.2305 16.49 UNK_432.1968@1.4088744 432.1968 1.409 UNK_432.3012@23.255037 432.3012 23.255 UNK_434.2012@1.6719191 434.2012 1.672 UNK_434.2627@1.6364391 434.2627 1.636 UNK_434.334@23.436872 434.334 23.437 UNK_434.3372@23.235456 434.3372 23.235 UNK_435.1406@1.1578256 435.1406 1.158 UNK_435.1841@1.484359 435.1841 1.484 UNK_435.3342@23.081406 435.3342 23.081 UNK_436.1258@1.2805995 436.1258 1.281 UNK_436.1266@1.4431993 436.1266 1.443 UNK_436.1306@1.3835595 436.1306 1.384 UNK_436.1868@19.309181 436.1868 19.309 UNK_436.1871@18.771507 436.1871 18.772 UNK_436.1874@17.573326 436.1874 17.573 UNK_436.1887@19.7061 436.1887 19.706 UNK_436.1899@20.238972 436.1899 20.239 UNK_436.2285@8.782131 436.2285 8.782 UNK_436.3512@23.647057 436.3512 23.647 UNK_438.2523@22.91815 438.2523 22.918 UNK_438.2938@21.159077 438.2938 21.159 UNK_439.2206@22.79855 439.2206 22.799 UNK_440.1686@0.6105999 440.1686 0.611 UNK_440.2204@21.689735 440.2204 21.69 UNK_440.2211@21.275454 440.2211 21.275 UNK_440.2914@23.404285 440.2914 23.404 UNK_440.325@4.693827 440.325 4.694 UNK_440.3281@23.132723 440.3281 23.133 UNK_440.3366@23.138584 440.3366 23.139 UNK_441.0458@1.1774396 441.0458 1.177 UNK_441.1825@0.80321395 441.1825 0.803 UNK_442.2338@21.901833 442.2338 21.902 UNK_442.2612@22.918472 442.2612 22.918 UNK_442.3211@22.572727 442.3211 22.573 UNK_443.0225@0.9131598 443.0225 0.913 UNK_444.2487@22.401453 444.2487 22.401 UNK_444.2488@21.464083 444.2488 21.464 UNK_444.252@22.50996 444.252 22.51 UNK_444.3235@19.519001 444.3235 19.519 UNK_445.2421@22.81097 445.2421 22.811 UNK_445.2422@16.493683 445.2422 16.494 UNK_445.2456@18.444736 445.2456 18.445 UNK_446.0496@12.773125 446.0496 12.773 UNK_448.122@0.6224799 448.122 0.622 UNK_448.2149@2.9714355 448.2149 2.971 UNK_448.2155@1.507599 448.2155 1.508 UNK_448.2779@22.91839 448.2779 22.918 UNK_448.278@22.912754 448.278 22.913 UNK_448.2797@21.721212 448.2797 21.721 UNK_449.3496@23.08129 449.3496 23.081 UNK_450.1117@1.8827186 450.1117 1.883 UNK_450.3329@23.246504 450.3329 23.247 UNK_451.2715@21.740261 451.2715 21.74 UNK_451.2901@21.513037 451.2901 21.513 UNK_452.1616@1.4959993 452.1616 1.496 UNK_452.1659@18.450645 452.1659 18.451 UNK_452.1668@18.450201 452.1668 18.45 UNK_452.183@19.854847 452.183 19.855 UNK_452.324@23.876343 452.324 23.876 UNK_453.09@0.9188796 453.09 0.919 UNK_453.1598@1.4990392 453.1598 1.499 UNK_453.1747@2.0992384 453.1747 2.099 UNK_453.2864@22.18076 453.2864 22.181 UNK_453.2872@22.134687 453.2872 22.135 UNK_454.0745@1.3953594 454.0745 1.395 UNK_454.3064@23.531712 454.3064 23.532 UNK_454.3251@22.838879 454.3251 22.839 UNK_455.1186@11.611212 455.1186 11.611 UNK_455.2015@2.156558 455.2015 2.157 UNK_456.1423@1.2256662 456.1423 1.226 UNK_456.2493@22.54188 456.2493 22.542 UNK_456.2581@7.1591206 456.2581 7.159 UNK_456.3409@23.826992 456.3409 23.827 UNK_457.2236@2.4291973 457.2236 2.429 UNK_457.3319@22.725292 457.3319 22.725 UNK_458.0763@1.0940795 458.0763 1.094 UNK_458.1986@13.18787 458.1986 13.188 UNK_458.1991@23.171316 458.1991 23.171 UNK_458.2284@21.77833 458.2284 21.778 UNK_458.2305@21.984743 458.2305 21.985 UNK_459.2327@2.0713983 459.2327 2.071 UNK_459.2612@18.447414 459.2612 18.447 UNK_459.261@16.487965 459.261 16.488 UNK_459.2749@22.380417 459.2749 22.38 UNK_460.2078@3.869472 460.2078 3.869 UNK_462.2957@22.139685 462.2957 22.14 UNK_462.3328@19.862766 462.3328 19.863 UNK_463.0739@2.1905177 463.0739 2.191 UNK_463.3642@23.073502 463.3642 23.074 UNK_464.2152@13.188429 464.2152 13.188 UNK_464.2162@23.170557 464.2162 23.171 UNK_464.9901@0.7541361 464.9901 0.754 UNK_465.306@21.708878 465.306 21.709 UNK_467.3011@21.303461 467.3011 21.303 UNK_468.1245@1.3638792 468.1245 1.364 UNK_468.3562@23.82331 468.3562 23.823 UNK_469.1363@1.1863593 469.1363 1.186 UNK_469.2507@1.7837987 469.2507 1.784 UNK_470.126@16.488005 470.126 16.488 UNK_470.2732@8.931927 470.2732 8.932 UNK_470.3567@22.921736 470.3567 22.922 UNK_471.4236@23.800476 471.4236 23.8 UNK_472.112@0.74767977 472.112 0.748 UNK_472.3355@22.358183 472.3355 22.358 UNK_473.248@2.683357 473.248 2.683 UNK_473.2527@21.698774 473.2527 21.699 UNK_473.2731@18.44977 473.2731 18.45 UNK_474.233@23.083008 474.233 23.083 UNK_476.1433@16.488457 476.1433 16.488 UNK_476.1682@3.2952743 476.1682 3.295 UNK_476.1724@21.707659 476.1724 21.708 UNK_477.0239@1.1787194 477.0239 1.179 UNK_478.3273@18.949974 478.3273 18.95 UNK_479.3039@22.27735 479.3039 22.277 UNK_480.1269@21.514833 480.1269 21.515 UNK_480.2484@23.083046 480.2484 23.083 UNK_480.2546@9.493633 480.2546 9.494 UNK_480.2767@23.253185 480.2767 23.253 UNK_480.3452@19.861408 480.3452 19.861 UNK_481.3528@22.507963 481.3528 22.508 UNK_482.1848@3.296315 482.1848 3.296 UNK_483.1094@1.3247192 483.1094 1.325 UNK_483.2696@0.84228 483.2696 0.842 UNK_484.1062@22.17192 484.1062 22.172 UNK_484.1389@21.514116 484.1389 21.514 UNK_484.2998@0.7542398 484.2998 0.754 UNK_484.3328@23.465935 484.3328 23.466 UNK_484.3521@23.543947 484.3521 23.544 UNK_485.1637@1.4106792 485.1637 1.411 UNK_486.351@22.631704 486.351 22.632 UNK_487.2316@2.4695976 487.2316 2.47 UNK_487.2927@18.445415 487.2927 18.445 UNK_487.2992@22.194551 487.2992 22.195 UNK_489.1261@1.3964392 489.1261 1.396 UNK_489.2156@1.3515594 489.2156 1.352 UNK_489.2814@21.552671 489.2814 21.553 UNK_489.2832@21.303102 489.2832 21.303 UNK_490.1559@21.515797 490.1559 21.516 UNK_492.1404@3.2956345 492.1404 3.296 UNK_492.3073@21.744576 492.3073 21.745 UNK_493.3163@21.733572 493.3163 21.734 UNK_495.2381@21.722198 495.2381 21.722 UNK_495.3327@22.121527 495.3327 22.122 UNK_496.1928@21.984976 496.1928 21.985 UNK_496.3881@24.538687 496.3881 24.539 UNK_497.2496@22.137365 497.2496 22.137 UNK_498.122@22.621864 498.122 22.622 UNK_498.1967@2.242558 498.1967 2.243 UNK_499.2712@21.630983 499.2712 21.631 UNK_500.3113@19.65398 500.3113 19.654 UNK_500.366@22.759048 500.366 22.759 UNK_501.2874@21.985422 501.2874 21.985 UNK_501.3186@22.464487 501.3186 22.464 UNK_502.144@1.3304391 502.144 1.33 UNK_502.3263@19.044485 502.3263 19.044 UNK_502.3275@19.52028 502.3275 19.52 UNK_502.3671@22.85013 502.3671 22.85 UNK_503.2986@21.794287 503.2986 21.794 UNK_503.3005@22.281273 503.3005 22.281 UNK_503.3007@22.007858 503.3007 22.008 UNK_503.3073@22.648432 503.3073 22.648 UNK_503.335@22.508003 503.335 22.508 UNK_504.1713@21.707659 504.1713 21.708 UNK_505.3202@22.176014 505.3202 22.176 UNK_506.3189@22.151794 506.3189 22.152 UNK_507.207@22.810724 507.207 22.811 UNK_509.1399@1.4280392 509.1399 1.428 UNK_510.2499@22.919388 510.2499 22.919 UNK_510.3476@22.97507 510.3476 22.975 UNK_512.1366@23.114807 512.1366 23.115 UNK_512.3306@22.244017 512.3306 22.244 UNK_513.2799@21.38104 513.2799 21.381 UNK_514.3473@22.43605 514.3473 22.436 UNK_514.384@22.926691 514.384 22.927 UNK_515.2988@21.770685 515.2988 21.771 UNK_515.3099@4.4717493 515.3099 4.472 UNK_516.2857@19.637348 516.2857 19.637 UNK_517.2524@21.985472 517.2524 21.985 UNK_518.3009@19.862646 518.3009 19.863 UNK_518.3015@19.520561 518.3015 19.521 UNK_518.3221@17.865824 518.3221 17.866 UNK_519.3345@21.942865 519.3345 21.943 UNK_520.3275@4.2627497 520.3275 4.263 UNK_520.4461@25.169113 520.4461 25.169 UNK_521.3484@22.270987 521.3484 22.271 UNK_521.348@22.378895 521.348 22.379 UNK_521.5892@22.628063 521.5892 22.628 UNK_522.2109@22.15234 522.2109 22.152 UNK_523.2676@22.243553 523.2676 22.244 UNK_523.3013@22.44601 523.3013 22.446 UNK_523.3637@22.656061 523.3637 22.656 UNK_524.2802@10.131978 524.2802 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1.327 UNK_537.5118@22.569431 537.5118 22.569 UNK_538.3217@4.419037 538.3217 4.419 UNK_539.2353@21.985422 539.2353 21.985 UNK_54.0481@0.8761736 54.0481 0.876 UNK_541.0602@1.0213997 541.0602 1.021 UNK_541.3164@21.965664 541.3164 21.966 UNK_541.3165@22.08049 541.3165 22.08 UNK_543.2408@21.631742 543.2408 21.632 UNK_543.3324@21.966665 543.3324 21.967 UNK_545.2498@21.986061 545.2498 21.986 UNK_545.3458@22.656061 545.3458 22.656 UNK_545.348@22.1772 545.348 22.177 UNK_545.477@24.094032 545.477 24.094 UNK_547.2674@22.065979 547.2674 22.066 UNK_548.4772@26.178556 548.4772 26.179 UNK_549.6208@22.715055 549.6208 22.715 UNK_550.3432@22.19784 550.3432 22.198 UNK_551.2993@22.469612 551.2993 22.47 UNK_552.1262@21.514154 552.1262 21.514 UNK_552.1606@0.6168398 552.1606 0.617 UNK_552.3831@23.858147 552.3831 23.858 UNK_552.4507@26.495708 552.4507 26.496 UNK_553.3078@22.046068 553.3078 22.046 UNK_553.3154@22.58363 553.3154 22.584 UNK_554.1191@1.1615258 554.1191 1.162 UNK_554.1837@13.190189 554.1837 13.19 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