metabolite_name S00026210 S00026211 S00026212 S00026213 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+ 6998 7091 98331 95045 1-METHYLNICOTINAMIDE M+ 24624 96194 1-METHYLXANTHINE (M+H)+ 3409597 2847800 4300639 4217875 1-METHYLXANTHINE (M+NA)+ 38216 36617 46279 49837 16:0 LYSO PC (M+H)+ 161599 222225 88666 132678 16:0 LYSO PC (M+NA)+ 86382 138208 49458 87424 16:0-18:0 PC (M+H)+ 10348 264406 41064 308061 16:0-18:0 PC (M+NA)+ 118666 121529 18:0 LYSO-PE (M+H)+ 16771 20203 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+ 17531 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+ 17397 2-DEOXY-D-GLUCOSE (M+NA)+ 3459 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 29587 3876 16208 3-DEHYDROXYCARNITINE (M+H)+ 3346961 662433 3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+ 7269261 6441694 9897901 10010230 3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+ 8189 10586 5'-DEOXYADENOSINE (M+H)+ 58680 26385 5'-METHYLTHIOADENOSINE (M+H)+ 167965 44344 109504 45402 5-AMINOPENTANOIC ACID (M+H)+ 594490 673290 790669 5-HYDROXYINDOLEACETIC ACID (M+H)+ 100082 172967 97579 5-HYDROXYINDOLEACETIC ACID (M+NA)+ 97168 38620 169537 89933 5-HYDROXYTRYPTOPHAN (M+H)+ 91686 49587 93839 62998 5-METHYLTETRAHYDROFOLIC ACID (M+H)+ 6342 5-OXOPROLINE (M+H)+ 284704 361760 219392 ACETYLCARNITINE (M+H)+ 204529 726107 ACETYLCHOLINE M+ 89765 49554 210492 153176 ADENOSINE (M+H)+ 217880 317660 361401 366299 ADENOSINE 5'-DIPHOSPHATE (M+H)+ 31148 286295 37375 129560 ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+ 2304 5399 7895 ADENOSINE 5'-MONOPHOSPHATE (M+H)+ 148567 58222 ADIPIC ACID (M+NA)+ 2696 2663 3692 ALPHA-TOCOPHEROL (M+H)+ 19215 ASPARTIC ACID (M+H)+ 7789 53423 6233 26157 ASPARTIC ACID (M+NA)+ 4916 42183 4105 18953 AZELAIC ACID (M+NA)+ 39978 37850 38263 41229 BILIVERDIN (M+H)+ 1216 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 229866 229832 134884 105160 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ 800667 866232 464230 395015 BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+ 2955 BUTYRYLCARNITINE (*) (M+H)+ 242947 517171 CAFFEINE (M+H)+ 10841 CAFFEINE (M+NA)+ 6421 4195 7801 CALCIDIOL (M+H)+[-H2O] 3493 CARNITINE (M+H)+ 75501 78810 CHOLESTEROL (M+H)+[-H2O] 35997 149916 161125 320090 CHOLIC ACID (2M+H)+[-H2O] 2727 CHOLIC ACID (2M+NA)+ 2915 CHOLINE M+ 37618 22133 39103 25563 CHOLINE PHOSPHATE (M+H)+ 739457 856810 685728 969058 CHOLINE PHOSPHATE (M+NA)+ 250771 262067 227577 299363 CITRIC ACID (M+NA)+ 11324 4764 17645 CMP (M+H)+ 2576 CREATINE (M+H)+ 92795 379384 68474 1672192 CYSTATHIONINE (M+H)+ 18112 15661 CYSTATHIONINE (M+NA)+ 11730 2293 7842 CYSTINE (M+NA)+ 62449 55881 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+ 3164 20378 4272 21244 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 1302 1512 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+ 4725 CYTOSINE (M+NA)+ 6270 3556 D-GLUCOSAMINE (M+H)+ 109537 71615 106174 DEOXYCYTIDINE (M+H)+ 1434 DEOXYCYTIDINE (M+NA)+ 5195 DEPHOSPHO-COA (M+2H)+2 31192 17730 70148 61901 DEPHOSPHO-COA (M+H)+ 14185 7758 27740 DEPHOSPHO-COA (M+NA)+ 3520 4855 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+ 3617 DOXYLAMINE (M+H)+ 1400 1875 ELAIDIC ACID (M+H)+ 4634 EPIBRASSINOLIDE [ISTD] (M+H)+ 608132 347338 504870 173238 EPIBRASSINOLIDE [ISTD] (M+NA)+ 370324 221730 314953 113412 ERYTHRITOL (M+NA)+ 27707 52304 27665 24595 ESTRONE (M+H)+ 5430 2484 4511 ETHANOLAMINE (M+NA)+ 52600 46657 40204 5226 ETHANOLAMINE PHOSPHATE (M+H)+ 3132 ETHYLMALONIC ACID (2M+NA)+[-H2O] 1927 FLAVIN ADENINE DINUCLEOTIDE (M+H)+ 23150 14330 37945 37180 FLAVIN ADENINE DINUCLEOTIDE (M+NA)+ 3013 7240 7350 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+ 4949 6936 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O] 18322 8270 18506 13702 GAMMA-LINOLENIC ACID (M+NA)+ 9760 13731 11619 12977 GDPGLUCOSE (M+H)+ 6982 5129 13816 GDPMANNOSE (M+H)+ 1972 GLUCOSE (2M+NA)+ 40022 GLUCOSE (M+NA)+ 332616 640598 GLUTAMIC ACID (M+H)+ 103445 242905 135553 150699 GLUTAMIC ACID (M+H)+[-H2O] 175219 122266 84726 62597 GLUTARYLCARNITINE (*) (M+H)+ 35462 37156 37026 41221 GLUTATHIONE OXIDIZED (M+H)+ 614220 350124 723422 352350 GLUTATHIONE OXIDIZED (M+H2)+2 1447985 868775 1436131 730958 GLYCEROL MYRISTATE (M+H)+ 1169 GLYCEROL MYRISTATE (M+H)+[-H2O] 6226 1293 GLYCEROL MYRISTATE (M+NA)+ 14402 9795 11726 5053 GLYCOCHOLIC ACID (2M+NA)+ 11802 GUANINE (M+H)+ 133045 149096 146646 203980 GUANOSINE (M+H)+ 6291 14243 7667 7663 GUANOSINE 5'-PHOSPHATE (M+H)+ 12293 4603 HYPOXANTHINE (M+H)+ 25368 HYPOXANTHINE (M+NA)+ 5871 2750 INOSINE (M+H)+ 16193 33743 INOSINE (M+NA)+ 19499 78976 18842 19922 INOSINE 5'-PHOSPHATE (M+H)+ 6942 ISOLEUCINE (M+H)+ 53702512 51336916 63805036 68820968 ISOLEUCINE (M+NA)+ 236222 259990 239623 294301 ISOVALERYLCARNITINE (*) (M+H)+ 1495 87612 2605 297232 KYNURENINE (M+H)+ 82072 14753 87871 19225 L-ALLOTHREONINE (M+H)+[-H2O] 7537 14538 4344 L-ARGININE (M+H)+ 462245 197909 1166 2947 L-HISTIDINE (M+H)+ 5539 66275 36852 22421 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 4277176 4662489 4650961 4334925 L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+ 9582 15252 LANTHIONINE (M+H)+ 2266 LITHOCHOLIC ACID (M+NA)+ 2475 3387 2256 LYSINE (M+H)+ 112356 178856 232655 228620 LYSINE (M+NA)+ 27255 31851 24364 31925 MANNOSE-6-PHOSPHATE (M+H)+[-H2O] 4658 7996 MANNOSE-6-PHOSPHATE (M+NA)+ 12657 6648 12640 8694 METHIONINE (M+H)+ 2982937 3287493 3381521 4708951 METHYL JASMONATE (M+NA)+ 4204 3292 N(PAI)-METHYL-L-HISTIDINE (M+H)+ 3090 N-ACETYL-ASPARTIC ACID (M+H)+ 155557 99330 68707 94148 N-ACETYL-ASPARTIC ACID (M+H)+[-H2O] 60520 29064 45189 N-ACETYL-ASPARTIC ACID (M+NA)+ 24422 10584 18455 N-ACETYL-D-MANNOSAMINE (M+NA)+ 1073308 1104274 1055975 1064607 N-ACETYL-DL-METHIONINE (M+H)+[-H2O] 21472 1602 16025 29597 N-ACETYL-DL-SERINE (M+H)+ 268544 105287 312442 284425 N-ACETYL-DL-SERINE (M+H)+[-H2O] 690815 527596 649956 415976 N-ACETYL-GLUTAMIC ACID (M+H)+ 26453 13809 21093 15106 N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O] 5547 2019 3167 2152 N-ACETYL-GLUTAMIC ACID (M+NA)+ 11926 6668 8047 5793 N-ACETYLGALACTOSAMINE (M+H)+ 9760 13731 11619 12977 N-ACETYLPUTRESCINE (M+H)+ 108286 224632 N-ALPHA-ACETYL-L-LYSINE (M+H)+ 13948 4808 10771 2469 N-METHYL-ASPARTIC ACID (M+NA)+ 37605 82922 43792 50567 NAD (M+2H)+2 688022 626228 829897 789851 NAD (M+H)+ 1828710 1465265 2529892 2376225 NAD (M+NA)+ 43699 46366 48183 62054 NICOTINAMIDE (M+H)+ 532852 685581 723044 947405 NICOTINE (M+H)+ 1193 OCTOPAMINE (M+H)+[-H2O] 43463 OLEIC ACID (M+NA)+ 84111 37876 17033 24284 OLEOYL-GLYCEROL (M+H)+ 25460 2684 16647 14458 OLEOYL-GLYCEROL (M+H)+[-H2O] 13697 12250 9931 OLEOYL-GLYCEROL (M+NA)+ 131396 34826 95981 88753 OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O] 3490 ORNITHINE (M+H)+ 20487 27738 13151 PANTOTHENIC ACID (M+H)+ 3627877 2128785 5115325 5238662 PANTOTHENIC ACID (M+NA)+ 1997693 1339064 2778059 2761574 PHENYLALANINE (M+H)+ 39605 148388 39212 48037 PHOSPHOCREATINE (M+H)+ 5307 6984 7385 PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ 1048 PROLINE (M+H)+ 1634837 403866 1693767 613139 PROLINE (M+NA)+ 67157 18322 66387 9883 PROPIONYLCARNITINE (*) (M+H)+ 45698 PROTOPORPHYRIN (M+H)+ 2024 PURINE (M+H)+ 93465 PURINE (M+NA)+ 12514 PUTRESCINE (M+H)+ 1912 PYRIDOXAL #2 (M+H)+ 5823 PYRIDOXAL #2 (M+H)+[-H2O] 39661 16988 59423 PYRIDOXAL (M+H)+ 47708 265666 86776 306617 PYRIDOXAL PHOSPHATE (M+H)+ 22844 14120 27466 35457 PYRIDOXINE (M+H)+ 2297834 1406047 2775087 1659404 RAFFINOSE (M+K)+ 1074 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ 7250 10150 S-ADENOSYLMETHIONINE (M+H)+ 601908 195101 768297 305417 SARCOSINE (M+H)+ 12190 33478 SERINE (M+H)+ 19880 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 35697 15572 12516 SPERMIDINE (M+H)+ 4857356 2504555 4247648 2850410 SPERMIDINE (M+NA)+ 3021 1561 SPERMINE (M+H)+ 206683 200347 268050 293590 SPHINGOSINE (M+H)+ 17081 8543 STACHYOSE (M+K)+ 1099 2910 2456 STACHYOSE (M+NA)+ 1297 STEAROYLCARNITINE (*) (M+H)+ 2036 2257 1561 SUCROSE (M+NA)+ 91564 163916 69151 91220 THIAMIN M+ 1396233 630643 1323235 547244 THIAMIN M+[-C6H9NOS] 129229 127048 THREONINE (M+H)+[-H2O] 2716 28326 86421 23094 THYMIDINE (M+NA)+ 9402 THYMIDINE 5'-MONOPHOSPHATE (2M+NA)+ 4580 7999 5470 7718 THYROTROPIN RELEASING HORMONE (M+NA)+ 6625 2321 TRYPTOPHAN (M+H)+ 7520387 5609964 10419391 9551322 TRYPTOPHAN (M+NA)+ 149126 146290 164269 185936 TYROSINE (M+H)+ 7066218 6451339 9916802 10027693 TYROSINE (M+NA)+ 67600 151268 56777 97865 UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+ 4645 3406 UDP-N-ACETYL-D-GLUCOSAMINE (M+H)+ 32769 18100 116161 37041 UDP-N-ACETYL-D-GLUCOSAMINE (M+NA)+ 12213 34852 UNK_1006.5278@22.564 4188 UNK_1006.6452@22.792 21457 8626 31364 10654 UNK_1008.1476@1.012 12198 9554 12864 14114 UNK_1015.6947@22.908 23103 10913 UNK_1017.6756@22.478 12545 5452 10795 8020 UNK_1018.6765@23.434 16549 9883 3871 UNK_102.0156@2.569 65035 59225 80341 80778 UNK_1020.6666@22.931 11117 6610 UNK_1024.7336@23.155 11592 9325 12559 13558 UNK_1026.2528@12.915 3358 UNK_1028.6176@22.190 3731 5859 4216 4594 UNK_1029.7133@23.082 13296 8778 11140 6535 UNK_103.0454@0.988 283074 301074 318447 430012 UNK_1031.6932@22.647 4910 UNK_1034.5782@10.685 24966 8028 21236 UNK_1034.67@23.085 19434 12889 14778 8457 UNK_104.0594@16.642 24500 10774 17371 UNK_1040.2411@12.909 221295 25589 303779 32957 UNK_1041.7483@23.141 14488 9600 17088 22638 UNK_1043.6024@3.708 6045 3574 UNK_1044.2389@12.910 13337 1609 17940 1952 UNK_1045.705@22.796 23081 13837 13624 UNK_1046.7053@23.144 16502 22877 UNK_1050.6681@22.802 7575 8453 UNK_1054.6267@22.356 4915 9377 2537 7769 UNK_1056.216@12.914 16632 2170 19823 2944 UNK_1056.5801@9.245 7178 6996 16335 49505 UNK_1058.2136@12.912 20807 2742 25625 3100 UNK_106.0631@1.230 205331 285007 219337 235957 UNK_1062.7032@23.426 18690 12221 9739 4086 UNK_1064.5385@7.281 15673 1479 29079 2850 UNK_1064.68@22.935 9598 4643 7572 4361 UNK_1065.0415@7.285 12470 1186 23884 1697 UNK_1066.6792@22.494 9433 4543 4905 UNK_1072.4966@10.378 4585 1119 11444 10272 UNK_1073.7426@23.079 12940 10843 13304 6459 UNK_1075.0424@9.458 12538 11322 36513 42063 UNK_1075.548@9.462 9740 10374 35074 38318 UNK_1075.6984@22.655 7154 3124 10542 2236 UNK_1076.3737@8.665 95699 101844 104916 99271 UNK_1078.7084@23.077 19237 13388 15675 8429 UNK_1080.3844@8.641 8013 8089 8185 UNK_1080.645@22.371 22782 30106 UNK_1082.7664@23.237 11364 7730 12708 16761 UNK_1092.3387@8.661 7163 7506 7726 6765 UNK_1094.62@10.087 9936 2872 UNK_1094.6929@22.796 5322 14620 UNK_1098.6118@22.359 2663 3401 3616 12373 UNK_1099.7913@23.231 18888 13404 21462 25355 UNK_110.1098@21.792 30493 27519 25918 16096 UNK_110.9999@0.511 390431 310427 454999 343171 UNK_1101.7701@23.420 13837 8190 7186 3750 UNK_1101.7727@22.724 10022 15686 UNK_1103.7476@22.904 3442 3358 UNK_1104.6636@9.000 49500 30638 61328 26420 UNK_1104.7513@23.228 24742 14029 37193 UNK_1106.7249@22.709 12889 20918 3333 UNK_1106.7278@23.416 20745 13482 9269 4717 UNK_111.1023@0.510 49024 15612 46650 35572 UNK_1117.7668@23.075 12134 9685 10767 6167 UNK_112.0528@14.816 4521 19730 9429 UNK_112.053@14.647 4503 3824 UNK_1122.7275@23.072 18140 15799 8038 UNK_1124.6757@10.946 4414 1926 14385 13382 UNK_1129.5726@9.100 2110 7164 18974 130491 UNK_1129.8201@9.103 1231 6404 15710 111927 UNK_113.0303@12.915 18836 7449 20912 6537 UNK_113.0819@0.693 6024 19336 9778 UNK_113.0845@4.590 1866782 1212977 1324535 1133687 UNK_1130.0695@9.096 1180 6664 14860 99984 UNK_1130.3184@9.090 9571 77430 UNK_1133.7646@22.798 7456 4207 10063 4954 UNK_1138.7346@22.792 10117 4933 9668 5232 UNK_1140.8063@23.335 14848 13090 16845 22997 UNK_1142.773@22.791 11363 13897 2891 UNK_1145.7928@23.409 12143 8528 6803 2919 UNK_115.0982@1.039 4907 73044 61539 61719 UNK_1150.7494@23.407 23827 14803 12285 5722 UNK_1154.33@8.905 3952 27936 UNK_1155.6259@13.094 9909 9646 3316 UNK_1157.8282@23.335 24383 18707 23863 33293 UNK_1159.8075@22.796 15175 2795 UNK_116.061@21.979 75061 60901 53413 UNK_1161.7811@23.069 12159 9064 10811 5274 UNK_1162.7869@23.335 20569 32492 UNK_1164.779@22.819 16822 2129 26472 3517 UNK_1166.7706@23.064 17459 12726 UNK_1169.6644@11.457 43500 27120 76659 48829 UNK_118.0784@18.597 13658 16401 8747 12795 UNK_1180.8322@8.851 3111 23710 UNK_1181.0774@8.863 17987 UNK_1182.765@22.792 8344 3767 9028 UNK_1183.591@9.129 41652 95701 101464 429053 UNK_1183.8387@9.131 39815 91990 102622 443859 UNK_1184.0864@9.129 34682 73407 81743 342410 UNK_1184.3334@9.128 58225 265923 UNK_1186.3448@8.929 15100 17815 140801 UNK_1186.5908@8.935 16056 20851 146830 UNK_1186.8416@8.932 12198 15375 33711 122261 UNK_1187.0876@8.931 9180 11752 28072 93936 UNK_1187.0924@9.246 23204 45316 266980 UNK_1187.3412@9.238 25815 65360 275904 UNK_1187.5906@9.241 16568 35236 213685 UNK_1189.8243@23.399 12048 7472 8069 3356 UNK_1189.8462@9.095 97367 95802 286186 UNK_119.041@2.567 6588770 5760148 8216274 8189769 UNK_1190.0931@9.091 102515 102498 305309 1068669 UNK_1190.3407@9.088 78019 76400 225993 816141 UNK_1190.5887@9.092 61983 58513 180281 632319 UNK_1192.5718@13.022 4162 21029 9574 46923 UNK_1193.0708@13.026 3729 19260 8176 42483 UNK_1194.7853@23.400 20478 13908 10830 3572 UNK_1196.086@9.124 4532 3724 UNK_1196.6693@9.128 9076 21996 18205 32752 UNK_1198.857@23.435 15572 17045 22699 UNK_1199.3275@9.086 10628 UNK_1199.572@9.088 3182 8554 39788 UNK_1199.8267@9.091 1078 6701 UNK_120.0435@5.464 4651591 4881005 5143794 4764546 UNK_1200.0765@9.088 5451 20882 UNK_1200.5543@13.022 2486 14028 5948 29876 UNK_1200.8461@22.879 12026 3070 11569 UNK_1201.0555@13.028 1605 11507 4132 22505 UNK_1202.3054@9.576 18725 24831 38032 UNK_1203.3162@9.078 2574 13167 UNK_1203.5756@9.093 1439 16862 UNK_1203.8187@9.097 1282 3789 UNK_1205.8213@23.064 9796 10681 5700 UNK_1209.6333@7.670 22432 5183 8935 6881 UNK_1210.1284@7.670 20609 4202 8952 4892 UNK_1210.7809@23.080 14854 10906 13499 7648 UNK_1216.8771@23.429 12293 15711 21554 UNK_1217.8575@22.873 13900 18101 UNK_122.0478@1.050 227730 204840 226128 135372 UNK_1220.8275@23.438 35545 25327 52923 UNK_1222.8071@22.874 8331 7538 UNK_1223.0176@1.031 12145 12167 13154 13586 UNK_123.0166@0.733 183974 195179 UNK_123.0891@1.218 174082 152611 UNK_1233.6189@9.508 246722 565191 254688 576333 UNK_1233.8452@23.389 12300 7338 7039 3061 UNK_1233.8701@9.512 261553 607042 269243 614911 UNK_1234.1168@9.511 197982 454549 210479 473583 UNK_1234.3629@9.508 157389 361357 163609 376918 UNK_1236.1074@8.966 6376 19201 9154 38090 UNK_1236.3597@8.963 5345 19598 35914 UNK_1236.6154@8.963 3293 17066 1977 28526 UNK_1237.6128@9.168 7645 24383 UNK_1238.8125@23.390 18367 12215 11438 UNK_1239.4934@10.486 4813 1042 23396 17656 UNK_124.0639@2.934 37495 21313 128337 9037 UNK_124.0985@2.324 71359 4261 52685 UNK_124.9791@0.516 389821 743583 451197 581692 UNK_1240.3639@8.967 681600 987694 960694 1743767 UNK_1240.6082@8.970 736505 1080565 1034671 1903656 UNK_1240.8569@8.970 558941 822293 779812 1425628 UNK_1241.1055@8.969 443751 663141 631451 1155884 UNK_1243.3507@9.522 2661 6654 13236 UNK_1243.6086@9.528 2799 6473 UNK_1245.8529@8.970 15755 27101 22796 26951 UNK_1246.0985@8.981 17324 27512 23656 UNK_1246.3551@8.966 16419 UNK_1246.5897@8.976 23031 30106 UNK_1246.6213@9.484 13280 4439 UNK_1248.5854@5.794 79121 3617 41392 UNK_1249.8517@23.057 10319 8096 8711 4146 UNK_1250.0944@8.978 26791 35176 UNK_1250.3418@8.974 24571 47064 UNK_1250.5938@8.965 19803 29408 25624 37313 UNK_1253.5837@8.967 15717 20696 25478 UNK_1253.8468@8.969 14075 24617 21392 23885 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UNK_129.9587@0.510 8221 9349 4711 7910 UNK_1293.8842@23.042 8513 7221 8481 UNK_1298.8289@23.053 10418 7911 8276 4457 UNK_130.0088@2.570 183826 158679 220391 220575 UNK_1305.7089@11.768 55232 40019 111389 100141 UNK_1306.0413@11.760 49832 38873 99676 UNK_1306.3723@11.763 29015 23440 67211 61927 UNK_1311.5933@22.549 138784 125270 61875 64236 UNK_1314.937@23.643 13075 9065 13980 19113 UNK_132.0248@0.993 535487 UNK_132.0713@3.682 16497 17898 17014 14480 UNK_1326.8478@23.373 11913 7881 7415 3546 UNK_1331.6598@9.282 48909 14469 21152 23736 UNK_1331.951@23.644 19550 12402 20339 30668 UNK_1332.1646@9.286 47346 14717 21502 UNK_1336.9153@23.615 48932 UNK_1338.9027@23.058 14321 4112 17397 6644 UNK_1339.6741@22.564 8271 6321 4885 3486 UNK_134.0727@18.604 8700 1229 UNK_134.0934@3.900 15300 19336 20988 8788 UNK_134.0943@4.466 27818 26273 29351 26547 UNK_134.1093@19.030 39964 42375 21512 11895 UNK_134.1094@19.290 40635 8397 36397 UNK_1342.8575@23.041 7439 7479 UNK_1348.2036@1.028 12371 8185 19188 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36072 30237 129845 UNK_813.4813@24.491 17042 26445 UNK_813.5008@24.904 4131 24922 10530 41703 UNK_813.5078@24.757 42017 7222 56648 UNK_813.6228@25.967 97366 317483 UNK_814.0787@0.983 39819 16833 41608 24948 UNK_814.0803@0.696 51382 39368 43345 30619 UNK_814.546@23.113 8619 3604 4964 1991 UNK_815.5297@25.534 24776 UNK_816.5428@22.643 18041 12561 10589 UNK_816.6474@25.929 184011 153644 133446 139226 UNK_817.53@26.121 3603 39650 10039 30753 UNK_819.512@24.407 1571 21211 9599 UNK_819.5485@27.103 10811 23096 22255 24813 UNK_821.5206@24.301 1112 23125 9896 58617 UNK_821.5246@24.817 6005 14614 UNK_821.5253@24.623 44523 22722 76732 UNK_822.0963@1.531 18068 17054 24238 31685 UNK_823.1061@6.290 22279 13751 32256 35781 UNK_823.5416@25.120 55984 190015 116168 310372 UNK_824.5011@3.612 62186 3922 15833 UNK_825.4874@26.736 3294 46750 25466 139455 UNK_825.554@25.739 12013 143170 33346 200469 UNK_826.4662@6.086 19520 12434 UNK_828.9882@9.716 118792 13890 173424 27758 UNK_829.1889@9.715 160196 232763 49615 UNK_829.389@9.715 112118 151041 40167 UNK_829.5863@9.738 101801 51436 31412 UNK_83.0372@1.227 33635 21294 29194 25573 UNK_83.9531@0.514 124490 239926 139291 184193 UNK_830.5383@22.809 28198 18609 36064 18191 UNK_831.5345@22.285 9485 5671 4394 UNK_831.5808@25.012 12894 72124 52812 28786 UNK_833.0609@0.722 6189 5025 1638 UNK_833.5281@25.647 43406 16632 26024 UNK_833.538@22.197 2811 2420 3238 3973 UNK_835.5448@26.480 25236 11601 UNK_835.6051@25.961 35940 21494 88314 UNK_836.0537@0.691 56991 43965 58433 61623 UNK_836.504@22.316 6967 5241 UNK_837.6215@25.691 9480 44131 84968 62342 UNK_838.3789@5.206 5476 12890 1392 UNK_839.5187@24.913 8713 148545 33616 163277 UNK_839.5672@27.634 29764 104456 UNK_839.5933@22.946 3949 UNK_840.5213@24.912 2702 31173 7431 50358 UNK_841.516@24.900 3420 55645 14953 64714 UNK_841.5752@22.470 18219 9199 18841 13361 UNK_842.2874@4.477 10522 31603 UNK_843.5279@25.716 13311 11185 UNK_843.5282@24.920 8146 56536 22808 80678 UNK_845.5287@24.580 17119 3297 9934 UNK_847.5293@24.498 1899 17315 9296 53279 UNK_847.5368@24.822 7721 UNK_847.544@25.023 31313 30759 8427 UNK_849.4861@13.357 7326 5136 9327 5616 UNK_849.5482@24.928 90048 20253 105160 UNK_849.5541@25.329 12200 48751 31811 40311 UNK_85.0893@1.530 24622328 23514576 29287256 31517426 UNK_85.0897@3.969 21820 10474 39140 30960 UNK_850.0451@0.712 7663 12076 7899 11648 UNK_850.3902@18.595 146744 232355 139472 303953 UNK_850.6231@26.630 13726 5587 20742 UNK_851.5789@25.968 8991 33806 21049 55234 UNK_852.0349@0.700 37511 19866 36329 32580 UNK_854.0374@0.707 9538 8628 8528 8918 UNK_854.445@13.356 6456 4589 8575 4658 UNK_855.5879@22.650 12280 4666 UNK_858.0318@0.689 30914 25430 34189 40989 UNK_859.4039@7.120 3462 14075 7040 UNK_86.0376@0.682 177116 UNK_860.0244@0.693 9657 8030 12290 13192 UNK_860.5524@22.636 16525 13097 23974 11331 UNK_861.5105@24.918 2010 50424 15565 55582 UNK_865.1848@12.909 55301 7879 69252 10674 UNK_865.5335@25.057 2618 53718 22484 108730 UNK_866.5273@25.122 6520 4074 15359 UNK_866.9914@0.983 17731 15766 22227 16699 UNK_867.5325@25.050 2527 23611 8968 45123 UNK_867.5618@25.740 22951 69936 UNK_869.6045@22.803 12963 29076 UNK_872.0729@0.696 13661 6742 10630 UNK_872.641@9.455 9761 13701 16253 34845 UNK_873.1359@0.976 11091 1268 11547 3601 UNK_874.0094@0.696 28735 18082 35797 33508 UNK_874.5635@22.806 37346 18173 39913 UNK_875.5599@25.056 55473 UNK_875.5682@25.642 5524 9019 22801 6044 UNK_876.0114@0.695 8458 8036 9625 10563 UNK_879.9196@2.895 22593 2881 23994 2870 UNK_880.0085@0.693 10239 7873 12319 14506 UNK_880.4137@2.892 12975 14615 2277 UNK_880.9747@1.434 7185 8860 8460 9282 UNK_883.6263@22.950 9290 8920 UNK_885.6003@22.471 20969 10364 18953 12687 UNK_888.0025@0.728 5553 6612 5349 UNK_888.5595@22.948 5876 16032 6240 UNK_889.9923@0.705 9560 6557 13111 9880 UNK_89.0477@0.908 28162 11897 39738 31632 UNK_890.5579@22.471 24578 13590 23053 16336 UNK_893.3889@8.298 3431 20356 8334 UNK_893.5179@13.669 6047 4643 8893 5027 UNK_895.9908@0.699 12491 7623 14622 13523 UNK_898.4712@13.669 5258 3624 6814 3642 UNK_899.6044@22.623 11350 8769 UNK_90.0472@20.890 332944 108184 244336 67651 UNK_900.5176@24.926 50371 70895 UNK_901.206@1.018 9323 2641 14034 6730 UNK_902.5966@23.096 14280 8344 10053 6201 UNK_903.416@9.709 52664 5923 83983 19755 UNK_903.6145@9.711 49617 5146 82488 16944 UNK_903.6607@9.097 5142 11744 28547 173760 UNK_903.8138@9.710 52441 6895 83317 18770 UNK_903.8601@9.090 12381 27275 173238 UNK_904.0602@9.091 24290 160260 UNK_905.116@0.643 4813 1980 6551 2787 UNK_912.4918@8.870 2937 32420 9064 103692 UNK_914.1609@0.978 10592 13829 4056 UNK_915.3663@3.772 22021 4522 24495 UNK_916.4233@6.892 9687 2101 28473 15235 UNK_918.5902@22.797 31248 16839 40410 18367 UNK_919.5657@22.320 6190 UNK_92.0476@5.465 37523 38465 41338 39166 UNK_921.0073@19.052 44935 UNK_923.4658@8.909 2233 11162 16703 107640 UNK_923.6651@8.914 2252 17812 107449 UNK_923.8641@8.910 11675 101690 UNK_926.5276@25.093 59114 UNK_927.4924@24.928 2610 34531 UNK_927.6524@22.940 13198 UNK_929.6243@22.472 15537 7556 17171 9672 UNK_930.6222@22.968 6050 2907 7855 8444 UNK_932.6026@22.933 8426 UNK_933.3751@3.772 18424 3132 23376 4845 UNK_934.5916@22.477 20095 8121 19689 11049 UNK_935.4928@24.916 4368 67927 15501 64987 UNK_937.5441@13.972 5238 4206 6988 3911 UNK_941.662@23.095 12297 7676 8873 5641 UNK_942.5016@13.973 5629 3189 5998 3117 UNK_944.4711@8.854 4843 7277 89873 UNK_944.6699@8.857 5461 8868 88752 UNK_944.8686@8.855 4227 8055 82151 UNK_945.0674@8.851 6560 64093 UNK_946.6211@23.093 16814 10983 12810 6954 UNK_946.8773@9.133 81442 190096 210810 803705 UNK_947.0758@9.132 80482 190841 206206 806094 UNK_947.2762@9.130 78157 190342 197011 784316 UNK_947.4759@9.128 59924 132007 146895 575526 UNK_947.6781@9.132 37629 90639 98875 380158 UNK_948.6158@22.650 16310 13707 12324 UNK_949.0789@8.927 53896 79459 167873 506933 UNK_949.2781@8.932 59319 76907 172687 506802 UNK_949.4783@8.929 54065 68684 161794 502957 UNK_949.68@8.929 42082 55348 115900 350839 UNK_949.68@9.239 39044 72489 80046 468437 UNK_949.8769@8.929 27280 222184 UNK_949.8791@9.237 36789 73880 77639 452001 UNK_950.0772@9.242 37028 72478 91211 414342 UNK_950.2772@9.238 28355 53549 72624 339069 UNK_951.88@9.090 393435 402384 1209461 3772526 UNK_952.081@9.089 388160 393492 1222606 3754315 UNK_952.2824@9.089 379907 381984 1184752 3696952 UNK_952.4771@9.088 292474 294679 916460 2823227 UNK_952.6779@9.088 185423 191533 591867 1827923 UNK_953.4746@8.927 4119 4431 11581 32345 UNK_953.673@8.923 4652 3478 14150 25152 UNK_953.8695@8.922 4061 6232 12249 29075 UNK_954.0694@8.921 10709 23527 UNK_954.2704@8.916 7147 17498 UNK_954.4554@7.452 15861 10002 UNK_954.4638@7.916 2606 6218 17013 UNK_954.4735@9.100 6323 5050 27980 11961 UNK_956.2774@9.091 37789 45533 125657 294868 UNK_956.4752@9.085 41843 49455 138763 356362 UNK_956.6719@8.924 2873 5069 11724 UNK_956.6743@9.093 40338 52044 133677 325221 UNK_956.8647@8.925 3144 1788 8106 18251 UNK_956.8769@9.088 34561 44531 111709 272857 UNK_957.0661@8.925 3286 18206 UNK_957.0703@9.096 27678 35442 87635 213761 UNK_957.649@22.804 21878 12281 26420 10818 UNK_959.4677@9.100 22116 28680 69228 137212 UNK_959.6682@9.094 30294 37901 70880 164335 UNK_959.8579@8.918 4678 13610 UNK_959.8687@9.093 26622 31327 82024 173378 UNK_960.0535@8.915 6118 13869 UNK_960.0671@9.090 25561 28044 72373 155859 UNK_960.267@9.086 18428 23702 50199 105827 UNK_960.2718@8.910 4253 8890 UNK_960.4647@8.918 5144 8064 UNK_961.5068@25.070 2286 32392 9016 46689 UNK_962.4631@9.089 25414 29535 66751 129671 UNK_962.6203@22.802 21286 12934 30592 12901 UNK_962.6628@9.086 20644 19691 53220 106878 UNK_962.8618@9.087 22383 24002 55285 108265 UNK_963.0647@9.091 21080 22446 54938 104833 UNK_963.2619@9.093 18565 18253 45181 91922 UNK_963.5235@25.769 15495 39171 UNK_964.4636@9.094 9760 12876 29164 50416 UNK_964.6681@9.091 7097 9539 25856 47733 UNK_965.0617@9.090 4165 7469 18074 46527 UNK_966.6739@23.050 13236 4652 17073 24666 UNK_966.8537@9.079 10555 22220 48393 UNK_967.0565@9.098 11528 12144 26583 UNK_967.2607@9.089 8208 10441 22184 40026 UNK_967.4566@9.090 8058 10331 18725 45509 UNK_967.6608@9.088 7329 8767 18448 32223 UNK_968.5851@22.319 6866 4498 6366 3376 UNK_970.193@1.000 44438 16850 61666 45584 UNK_970.253@9.099 6278 6058 11868 23086 UNK_970.4592@9.093 5959 11875 28357 UNK_971.3234@3.583 91293 138207 UNK_971.3256@3.578 86381 131278 UNK_971.326@4.617 31504 42530 UNK_971.6668@9.090 4914 5306 11539 22869 UNK_971.6688@22.943 7822 4536 UNK_971.8656@9.113 4919 5128 13335 21714 UNK_972.0591@9.090 5681 5550 13274 23261 UNK_972.2597@9.102 4790 4010 9193 16721 UNK_973.6486@22.483 16976 7711 14396 10089 UNK_974.3508@20.885 23091 3374 16339 1399 UNK_974.6477@23.446 14439 9440 6957 UNK_978.6135@22.479 7001 9491 UNK_981.0286@6.160 10911 2628 4532 3517 UNK_981.5204@6.162 9491 4363 2911 UNK_981.5735@14.250 5395 3264 6686 3038 UNK_982.6684@20.032 215146 147272 106358 83220 UNK_983.7081@23.052 12316 15900 UNK_983.8926@8.599 16944 6261 12814 16735 UNK_985.6882@23.087 15548 10189 12437 7075 UNK_986.5391@22.562 15894 17927 13454 15539 UNK_986.9023@9.511 530061 1223352 561525 1276049 UNK_987.0998@9.511 523644 1210615 555640 1262805 UNK_987.3001@9.510 530630 1227215 554325 1284788 UNK_987.6996@9.511 275554 654897 294379 674941 UNK_988.5662@22.576 31841 16867 25543 14563 UNK_988.6707@23.060 14526 9786 16827 17778 UNK_988.8968@8.945 37952 59670 UNK_989.0985@8.940 30347 54186 UNK_989.6905@8.961 19075 4037 36116 UNK_989.8971@9.172 7366 27409 16608 75600 UNK_99.1049@2.194 30796 27593 33135 28856 UNK_99.1051@3.237 62900 15304 89833 26188 UNK_990.0977@9.166 7408 28016 15988 68910 UNK_990.2971@9.169 7498 27256 65799 UNK_990.6657@23.087 19278 13181 16814 9795 UNK_991.2975@9.510 35659 93074 36759 93124 UNK_991.4968@9.511 35268 100910 42067 117000 UNK_991.696@9.512 47345 121910 49156 147516 UNK_991.8907@9.506 42947 113572 32192 101901 UNK_992.0955@9.507 33862 74257 32282 122917 UNK_992.1583@0.688 14246 10782 14090 12520 UNK_992.1679@1.002 40864 20634 53781 47168 UNK_992.2967@8.974 2541735 3580275 3389734 5150080 UNK_992.4939@8.970 2554696 3578705 3409503 5054095 UNK_992.657@22.655 12775 10231 5141 UNK_992.692@8.970 2632520 3681701 3487765 5153148 UNK_993.0923@8.969 1406669 1963038 1860085 2810494 UNK_993.2981@9.488 11761 22795 10796 44617 UNK_994.4897@9.510 29608 60155 26868 60590 UNK_994.693@9.511 36962 82728 36154 87814 UNK_994.89@9.509 32840 78203 34934 74337 UNK_995.0881@9.510 30463 69631 31999 71576 UNK_995.2874@9.508 23008 54816 23038 57213 UNK_995.4933@8.154 8387 38680 10423 49014 UNK_995.6892@8.160 9949 34200 11248 44912 UNK_996.6908@8.982 227067 284726 261916 302576 UNK_996.888@8.971 188173 243030 215592 265819 UNK_997.0867@8.977 204917 269897 235439 259455 UNK_997.2884@8.981 175374 234239 205605 231818 UNK_997.4869@9.507 18285 48013 22978 41330 UNK_997.4878@8.972 134070 177511 157681 178166 URIDINE-5-MONOPHOSPHATE (M+H)+ 3205 1925 UROCANIC ACID (M+H)+ 14741 16227 VALINE (M+H)+ 1921939 1409867 3060766 2200752 VALINE (M+NA)+ 23955 29817 22921 34509 VITAMIN B12 (M+2H)+2 62712 39111 80206 41835 VITAMIN B12 (M+2NA)+2 2888 4371 1382 ZEATIN [ISTD] (M+H)+ 3068 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+ 101.0472 0.949 535 1-METHYLNICOTINAMIDE M+ 137.0699 0.664 457 1-METHYLXANTHINE (M+H)+ 166.0481 2.566 80220 1-METHYLXANTHINE (M+NA)+ 166.0473 2.568 80220 16:0 LYSO PC (M+H)+ 495.3338 22.311 460602 16:0 LYSO PC (M+NA)+ 495.3337 22.304 460602 16:0-18:0 PC (M+H)+ 761.5945 25.549 18631368 16:0-18:0 PC (M+NA)+ 761.5971 25.55 18631368 18:0 LYSO-PE (M+H)+ 481.3169 22.751 9547068 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+ 141.0195 0.608 1015 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+ 141.0199 0.61 1015 2-DEOXY-D-GLUCOSE (M+NA)+ 164.0688 0.68 439268 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 402.3435 22.774 65094 3-DEHYDROXYCARNITINE (M+H)+ 145.1087 0.681 725 3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+ 162.0533 1.697 1662 3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+ 162.0524 1.7 1662 5'-DEOXYADENOSINE (M+H)+ 251.1024 2.817 439182 5'-METHYLTHIOADENOSINE (M+H)+ 297.0904 4.572 439176 5-AMINOPENTANOIC ACID (M+H)+ 117.0777 0.72 138 5-HYDROXYINDOLEACETIC ACID (M+H)+ 191.0618 4.175 1826 5-HYDROXYINDOLEACETIC ACID (M+NA)+ 191.0614 4.176 1826 5-HYDROXYTRYPTOPHAN (M+H)+ 220.0841 1.822 439280 5-METHYLTETRAHYDROFOLIC ACID (M+H)+ 459.1909 3.749 9825434 5-OXOPROLINE (M+H)+ 129.0435 1.226 7405 ACETYLCARNITINE (M+H)+ 203.1155 0.932 18230 ACETYLCHOLINE M+ 146.118 3.965 187 ADENOSINE (M+H)+ 267.0961 1.833 60961 ADENOSINE 5'-DIPHOSPHATE (M+H)+ 427.0301 0.929 6022 ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+ 347.0629 1.312 6083 ADENOSINE 5'-MONOPHOSPHATE (M+H)+ 347.0632 0.945 6083 ADIPIC ACID (M+NA)+ 146.0583 3.606 196 ALPHA-TOCOPHEROL (M+H)+ 430.3799 24.624 14985 ASPARTIC ACID (M+H)+ 133.0376 0.581 5960 ASPARTIC ACID (M+NA)+ 133.0373 0.581 5960 AZELAIC ACID (M+NA)+ 188.108 10.816 2266 BILIVERDIN (M+H)+ 582.2487 18.692 5280353 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 390.2784 23.138 8343 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ 390.2787 23.134 8343 BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+ 498.104 1.01 90657696 BUTYRYLCARNITINE (*) (M+H)+ 231.1466 2.914 213144 CAFFEINE (M+H)+ 194.084 5.766 2519 CAFFEINE (M+NA)+ 194.0824 5.79 2519 CALCIDIOL (M+H)+[-H2O] 400.3278 22.616 5283731 CARNITINE (M+H)+ 161.1042 0.635 10917 CHOLESTEROL (M+H)+[-H2O] 386.3559 24.72 5997 CHOLIC ACID (2M+H)+[-H2O] 408.2837 20.269 221493 CHOLIC ACID (2M+NA)+ 408.2937 20.204 221493 CHOLINE M+ 104.1064 0.654 305 CHOLINE PHOSPHATE (M+H)+ 183.065 0.605 1014 CHOLINE PHOSPHATE (M+NA)+ 183.0641 0.594 1014 CITRIC ACID (M+NA)+ 192.0272 1.052 311 CMP (M+H)+ 323.053 0.646 6131 CREATINE (M+H)+ 131.068 0.671 586 CYSTATHIONINE (M+H)+ 222.0633 0.617 439258 CYSTATHIONINE (M+NA)+ 222.0665 0.579 439258 CYSTINE (M+NA)+ 240.0274 0.707 6857538 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+ 488.1041 0.638 13804 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 488.1094 0.655 13804 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+ 488.108 0.665 13804 CYTOSINE (M+NA)+ 111.044 0.71 597 D-GLUCOSAMINE (M+H)+ 179.0768 0.65 439213 DEOXYCYTIDINE (M+H)+ 227.0872 0.957 13711 DEOXYCYTIDINE (M+NA)+ 227.0908 0.922 13711 DEPHOSPHO-COA (M+2H)+2 687.1502 3.84 444485 DEPHOSPHO-COA (M+H)+ 687.1503 3.755 444485 DEPHOSPHO-COA (M+NA)+ 687.1477 3.768 444485 DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+ 691.5154 24.78 445468 DOXYLAMINE (M+H)+ 270.1712 5.969 3162 ELAIDIC ACID (M+H)+ 282.2563 22.966 637517 EPIBRASSINOLIDE [ISTD] (M+H)+ 480.3463 20.033 115196 EPIBRASSINOLIDE [ISTD] (M+NA)+ 480.3454 20.034 115196 ERYTHRITOL (M+NA)+ 122.0574 0.653 222285 ESTRONE (M+H)+ 270.1612 16.501 5870 ETHANOLAMINE (M+NA)+ 61.0539 0.724 700 ETHANOLAMINE PHOSPHATE (M+H)+ 141.0183 0.839 1015 ETHYLMALONIC ACID (2M+NA)+[-H2O] 132.0407 2.8 11756 FLAVIN ADENINE DINUCLEOTIDE (M+H)+ 785.1571 6.275 643975 FLAVIN ADENINE DINUCLEOTIDE (M+NA)+ 785.1554 6.287 643975 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+ 250.0624 0.927 123938 GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O] 250.0634 0.993 123938 GAMMA-LINOLENIC ACID (M+NA)+ 278.2231 22.888 5280933 GDPGLUCOSE (M+H)+ 605.0738 1.29 644106 GDPMANNOSE (M+H)+ 605.0702 0.936 18396 GLUCOSE (2M+NA)+ 180.0617 0.631 5793 GLUCOSE (M+NA)+ 180.0625 0.647 5793 GLUTAMIC ACID (M+H)+ 147.0527 0.608 33032 GLUTAMIC ACID (M+H)+[-H2O] 147.0527 0.619 33032 GLUTARYLCARNITINE (*) (M+H)+ 275.1376 1.892 53481622 GLUTATHIONE OXIDIZED (M+H)+ 612.1523 1.407 65359 GLUTATHIONE OXIDIZED (M+H2)+2 612.154 1.405 65359 GLYCEROL MYRISTATE (M+H)+ 302.2412 22.072 79050 GLYCEROL MYRISTATE (M+H)+[-H2O] 302.2496 22.099 79050 GLYCEROL MYRISTATE (M+NA)+ 302.2476 22.186 79050 GLYCOCHOLIC ACID (2M+NA)+ 465.3013 18.934 10140 GUANINE (M+H)+ 151.0467 0.939 764 GUANOSINE (M+H)+ 283.0928 1.876 6802 GUANOSINE 5'-PHOSPHATE (M+H)+ 363.0592 0.976 6804 HYPOXANTHINE (M+H)+ 136.0388 1.105 790 HYPOXANTHINE (M+NA)+ 136.0377 1.11 790 INOSINE (M+H)+ 268.0858 1.852 6021 INOSINE (M+NA)+ 268.0816 1.85 6021 INOSINE 5'-PHOSPHATE (M+H)+ 348.0465 0.989 8582 ISOLEUCINE (M+H)+ 131.0945 1.537 6306 ISOLEUCINE (M+NA)+ 131.0933 1.553 6306 ISOVALERYLCARNITINE (*) (M+H)+ 245.163 4.585 169235 KYNURENINE (M+H)+ 208.083 2.235 161166 L-ALLOTHREONINE (M+H)+[-H2O] 119.0577 0.61 99289 L-ARGININE (M+H)+ 174.1089 0.606 6322 L-HISTIDINE (M+H)+ 155.0683 0.624 6274 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 206.0847 3.687 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+ 138.0474 5.317 227 LANTHIONINE (M+H)+ 208.048 0.572 102950 LITHOCHOLIC ACID (M+NA)+ 376.3003 22.296 9903 LYSINE (M+H)+ 146.1055 0.535 5962 LYSINE (M+NA)+ 146.1054 0.573 5962 MANNOSE-6-PHOSPHATE (M+H)+[-H2O] 260.029 0.566 439198 MANNOSE-6-PHOSPHATE (M+NA)+ 260.0279 0.573 439198 METHIONINE (M+H)+ 149.0507 0.987 6137 METHYL JASMONATE (M+NA)+ 224.1412 15.945 5281929 N(PAI)-METHYL-L-HISTIDINE (M+H)+ 169.0833 0.627 64969 N-ACETYL-ASPARTIC ACID (M+H)+ 175.0478 0.99 65065 N-ACETYL-ASPARTIC ACID (M+H)+[-H2O] 175.0467 0.992 65065 N-ACETYL-ASPARTIC ACID (M+NA)+ 175.046 0.987 65065 N-ACETYL-D-MANNOSAMINE (M+NA)+ 221.0914 0.672 53477792 N-ACETYL-DL-METHIONINE (M+H)+[-H2O] 191.0611 4.099 448580 N-ACETYL-DL-SERINE (M+H)+ 147.054 0.765 65249 N-ACETYL-DL-SERINE (M+H)+[-H2O] 147.0524 0.815 65249 N-ACETYL-GLUTAMIC ACID (M+H)+ 189.0639 1.349 185 N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O] 189.0633 1.339 185 N-ACETYL-GLUTAMIC ACID (M+NA)+ 189.0627 1.338 185 N-ACETYLGALACTOSAMINE (M+H)+ 221.0887 0.69 35717 N-ACETYLPUTRESCINE (M+H)+ 130.1091 0.694 122356 N-ALPHA-ACETYL-L-LYSINE (M+H)+ 188.1133 0.697 92907 N-METHYL-ASPARTIC ACID (M+NA)+ 147.054 0.59 4376 NAD (M+2H)+2 663.1098 1.03 5893 NAD (M+H)+ 663.11 1.018 5893 NAD (M+NA)+ 663.1081 1.031 5893 NICOTINAMIDE (M+H)+ 122.0479 1.125 936 NICOTINE (M+H)+ 162.1134 1.232 157672 OCTOPAMINE (M+H)+[-H2O] 153.0765 0.839 440266 OLEIC ACID (M+NA)+ 282.2563 22.519 445639 OLEOYL-GLYCEROL (M+H)+ 356.2881 22.701 5319879 OLEOYL-GLYCEROL (M+H)+[-H2O] 356.2907 22.712 5319879 OLEOYL-GLYCEROL (M+NA)+ 356.2936 22.708 5319879 OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O] 216.1729 17.007 79034 ORNITHINE (M+H)+ 132.0897 0.54 6262 PANTOTHENIC ACID (M+H)+ 219.1111 3.196 6613 PANTOTHENIC ACID (M+NA)+ 219.1113 3.248 6613 PHENYLALANINE (M+H)+ 165.0773 2.459 6140 PHOSPHOCREATINE (M+H)+ 211.0338 0.722 9548602 PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ 162.1032 0.669 83228 PROLINE (M+H)+ 115.0626 0.679 145742 PROLINE (M+NA)+ 115.0627 0.671 145742 PROPIONYLCARNITINE (*) (M+H)+ 217.131 1.655 107738 PROTOPORPHYRIN (M+H)+ 562.2637 22.946 4971 PURINE (M+H)+ 120.0437 1.432 1044 PURINE (M+NA)+ 120.0433 1.44 1044 PUTRESCINE (M+H)+ 88.0986 0.657 1045 PYRIDOXAL #2 (M+H)+ 167.0578 2.008 1050 PYRIDOXAL #2 (M+H)+[-H2O] 167.0588 2.105 1050 PYRIDOXAL (M+H)+ 167.058 0.955 1050 PYRIDOXAL PHOSPHATE (M+H)+ 247.0249 1.378 1051 PYRIDOXINE (M+H)+ 169.074 1.118 1054 RAFFINOSE (M+K)+ 504.1679 0.731 439242 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ 384.1243 1.539 439155 S-ADENOSYLMETHIONINE (M+H)+ 398.1374 0.688 34755 SARCOSINE (M+H)+ 89.0465 0.685 1088 SERINE (M+H)+ 105.0418 0.99 617 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 257.1011 0.639 439285 SPERMIDINE (M+H)+ 145.1575 0.512 1102 SPERMIDINE (M+NA)+ 145.1584 0.547 1102 SPERMINE (M+H)+ 202.2159 0.494 1103 SPHINGOSINE (M+H)+ 299.2827 20.331 5280335 STACHYOSE (M+K)+ 666.2205 0.656 439531 STACHYOSE (M+NA)+ 666.2131 0.648 439531 STEAROYLCARNITINE (*) (M+H)+ 427.3581 21.589 52922056 SUCROSE (M+NA)+ 342.1165 0.671 5988 THIAMIN M+ 265.1117 0.688 1130 THIAMIN M+[-C6H9NOS] 265.1109 0.686 1130 THREONINE (M+H)+[-H2O] 119.0579 0.894 6288 THYMIDINE (M+NA)+ 242.094 2.823 5789 THYMIDINE 5'-MONOPHOSPHATE (2M+NA)+ 322.0527 1.44 12803287 THYROTROPIN RELEASING HORMONE (M+NA)+ 362.17 1.479 638678 TRYPTOPHAN (M+H)+ 204.0865 3.687 6305 TRYPTOPHAN (M+NA)+ 204.087 3.682 6305 TYROSINE (M+H)+ 181.0732 1.335 6057 TYROSINE (M+NA)+ 181.0732 1.332 6057 UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+ 607.0787 0.932 23724461 UDP-N-ACETYL-D-GLUCOSAMINE (M+H)+ 607.0807 1.213 445675 UDP-N-ACETYL-D-GLUCOSAMINE (M+NA)+ 607.08 1.232 445675 UNK_1006.5278@22.564 1006.5278 22.564 UNK_1006.6452@22.792 1006.6452 22.792 UNK_1008.1476@1.012 1008.1476 1.012 UNK_1015.6947@22.908 1015.6947 22.908 UNK_1017.6756@22.478 1017.6756 22.478 UNK_1018.6765@23.434 1018.6765 23.434 UNK_102.0156@2.569 102.0156 2.569 UNK_1020.6666@22.931 1020.6666 22.931 UNK_1024.7336@23.155 1024.7336 23.155 UNK_1026.2528@12.915 1026.2528 12.915 UNK_1028.6176@22.190 1028.6176 22.19 UNK_1029.7133@23.082 1029.7133 23.082 UNK_103.0454@0.988 103.0454 0.988 UNK_1031.6932@22.647 1031.6932 22.647 UNK_1034.5782@10.685 1034.5782 10.685 UNK_1034.67@23.085 1034.67 23.085 UNK_104.0594@16.642 104.0594 16.642 UNK_1040.2411@12.909 1040.2411 12.909 UNK_1041.7483@23.141 1041.7483 23.141 UNK_1043.6024@3.708 1043.6024 3.708 UNK_1044.2389@12.910 1044.2389 12.91 UNK_1045.705@22.796 1045.705 22.796 UNK_1046.7053@23.144 1046.7053 23.144 UNK_1050.6681@22.802 1050.6681 22.802 UNK_1054.6267@22.356 1054.6267 22.356 UNK_1056.216@12.914 1056.216 12.914 UNK_1056.5801@9.245 1056.5801 9.245 UNK_1058.2136@12.912 1058.2136 12.912 UNK_106.0631@1.230 106.0631 1.23 UNK_1062.7032@23.426 1062.7032 23.426 UNK_1064.5385@7.281 1064.5385 7.281 UNK_1064.68@22.935 1064.68 22.935 UNK_1065.0415@7.285 1065.0415 7.285 UNK_1066.6792@22.494 1066.6792 22.494 UNK_1072.4966@10.378 1072.4966 10.378 UNK_1073.7426@23.079 1073.7426 23.079 UNK_1075.0424@9.458 1075.0424 9.458 UNK_1075.548@9.462 1075.548 9.462 UNK_1075.6984@22.655 1075.6984 22.655 UNK_1076.3737@8.665 1076.3737 8.665 UNK_1078.7084@23.077 1078.7084 23.077 UNK_1080.3844@8.641 1080.3844 8.641 UNK_1080.645@22.371 1080.645 22.371 UNK_1082.7664@23.237 1082.7664 23.237 UNK_1092.3387@8.661 1092.3387 8.661 UNK_1094.62@10.087 1094.62 10.087 UNK_1094.6929@22.796 1094.6929 22.796 UNK_1098.6118@22.359 1098.6118 22.359 UNK_1099.7913@23.231 1099.7913 23.231 UNK_110.1098@21.792 110.1098 21.792 UNK_110.9999@0.511 110.9999 0.511 UNK_1101.7701@23.420 1101.7701 23.42 UNK_1101.7727@22.724 1101.7727 22.724 UNK_1103.7476@22.904 1103.7476 22.904 UNK_1104.6636@9.000 1104.6636 9 UNK_1104.7513@23.228 1104.7513 23.228 UNK_1106.7249@22.709 1106.7249 22.709 UNK_1106.7278@23.416 1106.7278 23.416 UNK_111.1023@0.510 111.1023 0.51 UNK_1117.7668@23.075 1117.7668 23.075 UNK_112.0528@14.816 112.0528 14.816 UNK_112.053@14.647 112.053 14.647 UNK_1122.7275@23.072 1122.7275 23.072 UNK_1124.6757@10.946 1124.6757 10.946 UNK_1129.5726@9.100 1129.5726 9.1 UNK_1129.8201@9.103 1129.8201 9.103 UNK_113.0303@12.915 113.0303 12.915 UNK_113.0819@0.693 113.0819 0.693 UNK_113.0845@4.590 113.0845 4.59 UNK_1130.0695@9.096 1130.0695 9.096 UNK_1130.3184@9.090 1130.3184 9.09 UNK_1133.7646@22.798 1133.7646 22.798 UNK_1138.7346@22.792 1138.7346 22.792 UNK_1140.8063@23.335 1140.8063 23.335 UNK_1142.773@22.791 1142.773 22.791 UNK_1145.7928@23.409 1145.7928 23.409 UNK_115.0982@1.039 115.0982 1.039 UNK_1150.7494@23.407 1150.7494 23.407 UNK_1154.33@8.905 1154.33 8.905 UNK_1155.6259@13.094 1155.6259 13.094 UNK_1157.8282@23.335 1157.8282 23.335 UNK_1159.8075@22.796 1159.8075 22.796 UNK_116.061@21.979 116.061 21.979 UNK_1161.7811@23.069 1161.7811 23.069 UNK_1162.7869@23.335 1162.7869 23.335 UNK_1164.779@22.819 1164.779 22.819 UNK_1166.7706@23.064 1166.7706 23.064 UNK_1169.6644@11.457 1169.6644 11.457 UNK_118.0784@18.597 118.0784 18.597 UNK_1180.8322@8.851 1180.8322 8.851 UNK_1181.0774@8.863 1181.0774 8.863 UNK_1182.765@22.792 1182.765 22.792 UNK_1183.591@9.129 1183.591 9.129 UNK_1183.8387@9.131 1183.8387 9.131 UNK_1184.0864@9.129 1184.0864 9.129 UNK_1184.3334@9.128 1184.3334 9.128 UNK_1186.3448@8.929 1186.3448 8.929 UNK_1186.5908@8.935 1186.5908 8.935 UNK_1186.8416@8.932 1186.8416 8.932 UNK_1187.0876@8.931 1187.0876 8.931 UNK_1187.0924@9.246 1187.0924 9.246 UNK_1187.3412@9.238 1187.3412 9.238 UNK_1187.5906@9.241 1187.5906 9.241 UNK_1189.8243@23.399 1189.8243 23.399 UNK_1189.8462@9.095 1189.8462 9.095 UNK_119.041@2.567 119.041 2.567 UNK_1190.0931@9.091 1190.0931 9.091 UNK_1190.3407@9.088 1190.3407 9.088 UNK_1190.5887@9.092 1190.5887 9.092 UNK_1192.5718@13.022 1192.5718 13.022 UNK_1193.0708@13.026 1193.0708 13.026 UNK_1194.7853@23.400 1194.7853 23.4 UNK_1196.086@9.124 1196.086 9.124 UNK_1196.6693@9.128 1196.6693 9.128 UNK_1198.857@23.435 1198.857 23.435 UNK_1199.3275@9.086 1199.3275 9.086 UNK_1199.572@9.088 1199.572 9.088 UNK_1199.8267@9.091 1199.8267 9.091 UNK_120.0435@5.464 120.0435 5.464 UNK_1200.0765@9.088 1200.0765 9.088 UNK_1200.5543@13.022 1200.5543 13.022 UNK_1200.8461@22.879 1200.8461 22.879 UNK_1201.0555@13.028 1201.0555 13.028 UNK_1202.3054@9.576 1202.3054 9.576 UNK_1203.3162@9.078 1203.3162 9.078 UNK_1203.5756@9.093 1203.5756 9.093 UNK_1203.8187@9.097 1203.8187 9.097 UNK_1205.8213@23.064 1205.8213 23.064 UNK_1209.6333@7.670 1209.6333 7.67 UNK_1210.1284@7.670 1210.1284 7.67 UNK_1210.7809@23.080 1210.7809 23.08 UNK_1216.8771@23.429 1216.8771 23.429 UNK_1217.8575@22.873 1217.8575 22.873 UNK_122.0478@1.050 122.0478 1.05 UNK_1220.8275@23.438 1220.8275 23.438 UNK_1222.8071@22.874 1222.8071 22.874 UNK_1223.0176@1.031 1223.0176 1.031 UNK_123.0166@0.733 123.0166 0.733 UNK_123.0891@1.218 123.0891 1.218 UNK_1233.6189@9.508 1233.6189 9.508 UNK_1233.8452@23.389 1233.8452 23.389 UNK_1233.8701@9.512 1233.8701 9.512 UNK_1234.1168@9.511 1234.1168 9.511 UNK_1234.3629@9.508 1234.3629 9.508 UNK_1236.1074@8.966 1236.1074 8.966 UNK_1236.3597@8.963 1236.3597 8.963 UNK_1236.6154@8.963 1236.6154 8.963 UNK_1237.6128@9.168 1237.6128 9.168 UNK_1238.8125@23.390 1238.8125 23.39 UNK_1239.4934@10.486 1239.4934 10.486 UNK_124.0639@2.934 124.0639 2.934 UNK_124.0985@2.324 124.0985 2.324 UNK_124.9791@0.516 124.9791 0.516 UNK_1240.3639@8.967 1240.3639 8.967 UNK_1240.6082@8.970 1240.6082 8.97 UNK_1240.8569@8.970 1240.8569 8.97 UNK_1241.1055@8.969 1241.1055 8.969 UNK_1243.3507@9.522 1243.3507 9.522 UNK_1243.6086@9.528 1243.6086 9.528 UNK_1245.8529@8.970 1245.8529 8.97 UNK_1246.0985@8.981 1246.0985 8.981 UNK_1246.3551@8.966 1246.3551 8.966 UNK_1246.5897@8.976 1246.5897 8.976 UNK_1246.6213@9.484 1246.6213 9.484 UNK_1248.5854@5.794 1248.5854 5.794 UNK_1249.8517@23.057 1249.8517 23.057 UNK_1250.0944@8.978 1250.0944 8.978 UNK_1250.3418@8.974 1250.3418 8.974 UNK_1250.5938@8.965 1250.5938 8.965 UNK_1253.5837@8.967 1253.5837 8.967 UNK_1253.8468@8.969 1253.8468 8.969 UNK_1254.0931@8.968 1254.0931 8.968 UNK_1254.3333@8.961 1254.3333 8.961 UNK_1254.8177@23.055 1254.8177 23.055 UNK_1256.8923@23.538 1256.8923 23.538 UNK_1262.5925@7.327 1262.5925 7.327 UNK_1262.651@8.739 1262.651 8.739 UNK_1269.67@9.087 1269.67 9.087 UNK_127.0102@0.506 127.0102 0.506 UNK_127.0117@0.724 127.0117 0.724 UNK_127.0996@8.086 127.0996 8.086 UNK_1273.913@23.536 1273.913 23.536 UNK_1274.5703@10.916 1274.5703 10.916 UNK_1275.2487@9.803 1275.2487 9.803 UNK_1275.5846@9.818 1275.5846 9.818 UNK_1275.9131@9.813 1275.9131 9.813 UNK_1275.9144@22.965 1275.9144 22.965 UNK_1278.8734@23.535 1278.8734 23.535 UNK_128.1298@0.660 128.1298 0.66 UNK_128.1312@0.478 128.1312 0.478 UNK_1280.8517@22.934 1280.8517 22.934 UNK_1281.1342@11.405 1281.1342 11.405 UNK_1281.6306@11.401 1281.6306 11.401 UNK_1282.8309@23.382 1282.8309 23.382 UNK_1289.6202@22.548 1289.6202 22.548 UNK_129.0412@0.707 129.0412 0.707 UNK_129.0446@5.977 129.0446 5.977 UNK_129.1517@4.967 129.1517 4.967 UNK_129.9587@0.510 129.9587 0.51 UNK_1293.8842@23.042 1293.8842 23.042 UNK_1298.8289@23.053 1298.8289 23.053 UNK_130.0088@2.570 130.0088 2.57 UNK_1305.7089@11.768 1305.7089 11.768 UNK_1306.0413@11.760 1306.0413 11.76 UNK_1306.3723@11.763 1306.3723 11.763 UNK_1311.5933@22.549 1311.5933 22.549 UNK_1314.937@23.643 1314.937 23.643 UNK_132.0248@0.993 132.0248 0.993 UNK_132.0713@3.682 132.0713 3.682 UNK_1326.8478@23.373 1326.8478 23.373 UNK_1331.6598@9.282 1331.6598 9.282 UNK_1331.951@23.644 1331.951 23.644 UNK_1332.1646@9.286 1332.1646 9.286 UNK_1336.9153@23.615 1336.9153 23.615 UNK_1338.9027@23.058 1338.9027 23.058 UNK_1339.6741@22.564 1339.6741 22.564 UNK_134.0727@18.604 134.0727 18.604 UNK_134.0934@3.900 134.0934 3.9 UNK_134.0943@4.466 134.0943 4.466 UNK_134.1093@19.030 134.1093 19.03 UNK_134.1094@19.290 134.1094 19.29 UNK_1342.8575@23.041 1342.8575 23.041 UNK_1348.2036@1.028 1348.2036 1.028 UNK_135.0663@4.588 135.0663 4.588 UNK_135.0678@1.336 135.0678 1.336 UNK_136.0389@1.877 136.0389 1.877 UNK_1364.1667@1.026 1364.1667 1.026 UNK_1374.3398@12.913 1374.3398 12.913 UNK_1376.1927@8.597 1376.1927 8.597 UNK_1376.5457@6.930 1376.5457 6.93 UNK_1377.3429@12.914 1377.3429 12.914 UNK_1378.5293@22.545 1378.5293 22.545 UNK_138.054@5.462 138.054 5.462 UNK_138.0659@4.313 138.0659 4.313 UNK_138.1042@13.004 138.1042 13.004 UNK_138.1044@6.794 138.1044 6.794 UNK_138.1156@3.349 138.1156 3.349 UNK_138.1156@4.492 138.1156 4.492 UNK_138.994@1.057 138.994 1.057 UNK_1390.0007@23.745 1390.0007 23.745 UNK_1394.9583@23.761 1394.9583 23.761 UNK_1408.3574@15.074 1408.3574 15.074 UNK_1414.6971@6.360 1414.6971 6.36 UNK_1422.5125@8.656 1422.5125 8.656 UNK_1425.2546@8.974 1425.2546 8.974 UNK_1427.3937@15.090 1427.3937 15.09 UNK_143.1313@13.594 143.1313 13.594 UNK_1432.1982@9.584 1432.1982 9.584 UNK_1438.4867@8.665 1438.4867 8.665 UNK_1438.7085@10.127 1438.7085 10.127 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22.548 UNK_1953.5057@15.518 1953.5057 15.518 UNK_1954.3224@9.809 1954.3224 9.809 UNK_196.0718@8.458 196.0718 8.458 UNK_196.1085@6.794 196.1085 6.794 UNK_197.0369@4.590 197.0369 4.59 UNK_197.0449@12.918 197.0449 12.918 UNK_197.142@12.448 197.142 12.448 UNK_197.1788@18.911 197.1788 18.911 UNK_197.9331@0.520 197.9331 0.52 UNK_1976.9677@9.498 1976.9677 9.498 UNK_1979.4412@9.754 1979.4412 9.754 UNK_1979.9349@9.754 1979.9349 9.754 UNK_198.1176@10.083 198.1176 10.083 UNK_198.1262@15.101 198.1262 15.101 UNK_198.162@21.794 198.162 21.794 UNK_199.0953@1.068 199.0953 1.068 UNK_199.1935@20.528 199.1935 20.528 UNK_200.0366@3.848 200.0366 3.848 UNK_200.0638@2.278 200.0638 2.278 UNK_200.1046@11.150 200.1046 11.15 UNK_201.1004@3.389 201.1004 3.389 UNK_202.0754@1.827 202.0754 1.827 UNK_202.1303@1.919 202.1303 1.919 UNK_202.1313@2.094 202.1313 2.094 UNK_202.1315@3.713 202.1315 3.713 UNK_202.1317@5.917 202.1317 5.917 UNK_202.1318@6.440 202.1318 6.44 UNK_202.131@2.968 202.131 2.968 UNK_202.2152@0.750 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17.513 UNK_276.1216@12.849 276.1216 12.849 UNK_276.1267@5.142 276.1267 5.142 UNK_276.1359@15.938 276.1359 15.938 UNK_276.1733@18.397 276.1733 18.397 UNK_276.1733@19.767 276.1733 19.767 UNK_276.1735@17.588 276.1735 17.588 UNK_276.2066@22.349 276.2066 22.349 UNK_276.207@22.467 276.207 22.467 UNK_277.1196@9.626 277.1196 9.626 UNK_278.033@10.996 278.033 10.996 UNK_278.0488@17.541 278.0488 17.541 UNK_278.053@0.695 278.053 0.695 UNK_278.0844@6.161 278.0844 6.161 UNK_278.1529@23.138 278.1529 23.138 UNK_278.1532@20.972 278.1532 20.972 UNK_278.153@20.813 278.153 20.813 UNK_278.1634@7.097 278.1634 7.097 UNK_278.1635@7.367 278.1635 7.367 UNK_278.1636@8.017 278.1636 8.017 UNK_278.164@8.093 278.164 8.093 UNK_279.1203@3.524 279.1203 3.524 UNK_279.1221@1.958 279.1221 1.958 UNK_279.1222@2.819 279.1222 2.819 UNK_279.1517@21.846 279.1517 21.846 UNK_279.1824@18.108 279.1824 18.108 UNK_280.0893@7.671 280.0893 7.671 UNK_280.0946@5.765 280.0946 5.765 UNK_280.09@16.662 280.09 16.662 UNK_280.1333@18.597 280.1333 18.597 UNK_280.2402@22.108 280.2402 22.108 UNK_281.1121@1.032 281.1121 1.032 UNK_281.1973@16.314 281.1973 16.314 UNK_282.1263@7.553 282.1263 7.553 UNK_282.127@8.664 282.127 8.664 UNK_282.169@6.129 282.169 6.129 UNK_282.2218@21.993 282.2218 21.993 UNK_282.2558@22.199 282.2558 22.199 UNK_283.0506@10.954 283.0506 10.954 UNK_283.2854@22.899 283.2854 22.899 UNK_283.9197@0.525 283.9197 0.525 UNK_284.015@6.470 284.015 6.47 UNK_284.0969@18.565 284.0969 18.565 UNK_284.1241@10.564 284.1241 10.564 UNK_284.1242@9.936 284.1242 9.936 UNK_284.1322@21.851 284.1322 21.851 UNK_284.1411@9.077 284.1411 9.077 UNK_284.1422@8.663 284.1422 8.663 UNK_285.2651@22.069 285.2651 22.069 UNK_285.9179@0.521 285.9179 0.521 UNK_286.2149@21.795 286.2149 21.795 UNK_287.1613@19.030 287.1613 19.03 UNK_287.1857@3.602 287.1857 3.602 UNK_287.1959@0.967 287.1959 0.967 UNK_287.2469@20.302 287.2469 20.302 UNK_287.2805@17.863 287.2805 17.863 UNK_287.2828@17.569 287.2828 17.569 UNK_287.2829@18.354 287.2829 18.354 UNK_288.0438@3.687 288.0438 3.687 UNK_288.1458@20.863 288.1458 20.863 UNK_288.1684@16.692 288.1684 16.692 UNK_289.0749@3.391 289.0749 3.391 UNK_289.262@17.604 289.262 17.604 UNK_290.1416@6.135 290.1416 6.135 UNK_291.2756@22.340 291.2756 22.34 UNK_292.1077@8.663 292.1077 8.663 UNK_292.1735@22.632 292.1735 22.632 UNK_292.2022@21.567 292.2022 21.567 UNK_292.2028@21.283 292.2028 21.283 UNK_292.2032@21.483 292.2032 21.483 UNK_292.2037@21.673 292.2037 21.673 UNK_293.1379@3.689 293.1379 3.689 UNK_293.1455@21.517 293.1455 21.517 UNK_293.1975@18.702 293.1975 18.702 UNK_294.089@5.975 294.089 5.975 UNK_294.1051@5.974 294.1051 5.974 UNK_294.1064@18.573 294.1064 18.573 UNK_294.1199@2.876 294.1199 2.876 UNK_294.1586@4.436 294.1586 4.436 UNK_294.158@4.062 294.158 4.062 UNK_294.1684@5.335 294.1684 5.335 UNK_294.1852@17.845 294.1852 17.845 UNK_294.1876@22.886 294.1876 22.886 UNK_294.2142@21.555 294.2142 21.555 UNK_294.2159@21.465 294.2159 21.465 UNK_294.2163@21.699 294.2163 21.699 UNK_295.072@8.050 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362.222 21.867 UNK_362.2458@22.856 362.2458 22.856 UNK_362.2855@22.750 362.2855 22.75 UNK_362.2995@22.393 362.2995 22.393 UNK_362.3008@22.063 362.3008 22.063 UNK_362.3669@8.634 362.3669 8.634 UNK_363.1161@8.656 363.1161 8.656 UNK_363.1697@8.662 363.1697 8.662 UNK_363.1736@6.716 363.1736 6.716 UNK_363.2462@23.241 363.2462 23.241 UNK_364.1288@20.633 364.1288 20.633 UNK_364.1308@20.227 364.1308 20.227 UNK_364.1462@21.872 364.1462 21.872 UNK_364.1646@16.903 364.1646 16.903 UNK_364.2049@22.029 364.2049 22.029 UNK_364.2599@19.201 364.2599 19.201 UNK_364.2601@22.876 364.2601 22.876 UNK_364.3055@22.973 364.3055 22.973 UNK_365.221@23.242 365.221 23.242 UNK_366.1258@14.387 366.1258 14.387 UNK_366.1262@12.807 366.1262 12.807 UNK_366.1264@13.270 366.1264 13.27 UNK_366.126@13.804 366.126 13.804 UNK_366.1434@2.325 366.1434 2.325 UNK_366.1521@0.663 366.1521 0.663 UNK_366.157@20.661 366.157 20.661 UNK_366.1614@21.134 366.1614 21.134 UNK_366.1616@21.236 366.1616 21.236 UNK_366.1616@21.477 366.1616 21.477 UNK_366.1656@4.815 366.1656 4.815 UNK_366.1844@22.504 366.1844 22.504 UNK_366.313@23.248 366.313 23.248 UNK_366.3201@22.766 366.3201 22.766 UNK_367.197@22.966 367.197 22.966 UNK_367.3411@21.645 367.3411 21.645 UNK_368.1037@20.798 368.1037 20.798 UNK_368.1251@7.551 368.1251 7.551 UNK_368.1251@8.664 368.1251 8.664 UNK_368.1253@6.738 368.1253 6.738 UNK_368.1258@12.807 368.1258 12.807 UNK_368.157@16.640 368.157 16.64 UNK_368.1741@21.225 368.1741 21.225 UNK_368.1837@22.504 368.1837 22.504 UNK_368.2128@5.431 368.2128 5.431 UNK_368.2227@9.002 368.2227 9.002 UNK_368.2248@23.244 368.2248 23.244 UNK_368.2473@7.819 368.2473 7.819 UNK_368.2954@22.796 368.2954 22.796 UNK_369.1665@0.671 369.1665 0.671 UNK_369.1932@1.453 369.1932 1.453 UNK_370.1242@9.524 370.1242 9.524 UNK_370.1256@9.729 370.1256 9.729 UNK_370.139@1.335 370.139 1.335 UNK_370.1404@9.077 370.1404 9.077 UNK_370.1702@21.793 370.1702 21.793 UNK_370.1838@2.735 370.1838 2.735 UNK_370.2207@8.067 370.2207 8.067 UNK_370.2212@8.117 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400.3336 23.334 UNK_401.2203@19.215 401.2203 19.215 UNK_401.2689@9.269 401.2689 9.269 UNK_401.2693@9.325 401.2693 9.325 UNK_401.3449@23.144 401.3449 23.144 UNK_401.3492@21.341 401.3492 21.341 UNK_401.8954@0.542 401.8954 0.542 UNK_402.0768@12.911 402.0768 12.911 UNK_402.2761@22.663 402.2761 22.663 UNK_403.1482@2.543 403.1482 2.543 UNK_403.1974@16.638 403.1974 16.638 UNK_404.1425@8.669 404.1425 8.669 UNK_404.2578@21.748 404.2578 21.748 UNK_404.271@23.247 404.271 23.247 UNK_404.2916@22.785 404.2916 22.785 UNK_405.1572@4.792 405.1572 4.792 UNK_405.1614@0.952 405.1614 0.952 UNK_405.1639@5.631 405.1639 5.631 UNK_405.2872@21.859 405.2872 21.859 UNK_405.3244@22.868 405.3244 22.868 UNK_406.1762@21.107 406.1762 21.107 UNK_406.2428@23.241 406.2428 23.241 UNK_406.3065@23.330 406.3065 23.33 UNK_406.3219@22.095 406.3219 22.095 UNK_406.3256@22.403 406.3256 22.403 UNK_407.1733@1.051 407.1733 1.051 UNK_407.2428@9.745 407.2428 9.745 UNK_407.2438@9.987 407.2438 9.987 UNK_407.286@21.689 407.286 21.689 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UNK_417.1695@0.658 417.1695 0.658 UNK_417.2141@16.641 417.2141 16.641 UNK_417.2418@1.579 417.2418 1.579 UNK_418.0529@12.913 418.0529 12.913 UNK_418.1755@21.639 418.1755 21.639 UNK_418.2301@22.717 418.2301 22.717 UNK_418.2379@22.664 418.2379 22.664 UNK_418.2706@22.183 418.2706 22.183 UNK_418.3106@23.470 418.3106 23.47 UNK_419.0996@2.072 419.0996 2.072 UNK_419.1731@1.325 419.1731 1.325 UNK_419.1927@18.435 419.1927 18.435 UNK_420.1714@20.729 420.1714 20.729 UNK_420.2263@21.521 420.2263 21.521 UNK_420.2442@23.242 420.2442 23.242 UNK_420.3267@23.600 420.3267 23.6 UNK_420.3283@22.170 420.3283 22.17 UNK_421.1554@6.531 421.1554 6.531 UNK_422.1547@8.662 422.1547 8.662 UNK_422.1996@7.642 422.1996 7.642 UNK_422.2457@23.241 422.2457 23.241 UNK_422.306@23.054 422.306 23.054 UNK_422.3099@22.985 422.3099 22.985 UNK_422.3204@23.305 422.3204 23.305 UNK_422.3388@23.961 422.3388 23.961 UNK_423.0954@1.289 423.0954 1.289 UNK_423.204@4.590 423.204 4.59 UNK_423.2434@21.455 423.2434 21.455 UNK_423.3536@22.411 423.3536 22.411 UNK_423.3566@22.098 423.3566 22.098 UNK_423.768@22.469 423.768 22.469 UNK_424.1124@16.645 424.1124 16.645 UNK_424.1263@16.643 424.1263 16.643 UNK_424.1314@13.224 424.1314 13.224 UNK_424.1443@17.688 424.1443 17.688 UNK_424.2087@21.906 424.2087 21.906 UNK_424.2204@22.888 424.2204 22.888 UNK_424.2427@23.241 424.2427 23.241 UNK_424.2686@8.883 424.2686 8.883 UNK_424.2733@22.516 424.2733 22.516 UNK_424.3279@23.642 424.3279 23.642 UNK_425.117@8.669 425.117 8.669 UNK_425.8944@0.518 425.8944 0.518 UNK_426.0831@8.655 426.0831 8.655 UNK_426.1267@16.632 426.1267 16.632 UNK_426.2243@16.225 426.2243 16.225 UNK_426.2467@23.241 426.2467 23.241 UNK_426.2537@22.268 426.2537 22.268 UNK_426.3316@22.975 426.3316 22.975 UNK_427.1986@8.423 427.1986 8.423 UNK_427.199@7.805 427.199 7.805 UNK_428.0823@8.682 428.0823 8.682 UNK_428.1863@17.539 428.1863 17.539 UNK_428.3112@22.401 428.3112 22.401 UNK_428.3127@22.098 428.3127 22.098 UNK_428.365@25.275 428.365 25.275 UNK_428.3667@23.912 428.3667 23.912 UNK_429.0471@12.911 429.0471 12.911 UNK_429.1004@20.883 429.1004 20.883 UNK_429.1726@1.334 429.1726 1.334 UNK_429.1737@0.709 429.1737 0.709 UNK_429.2216@2.108 429.2216 2.108 UNK_429.2681@21.691 429.2681 21.691 UNK_429.3737@24.633 429.3737 24.633 UNK_430.0884@16.196 430.0884 16.196 UNK_430.0953@8.666 430.0953 8.666 UNK_430.1642@3.682 430.1642 3.682 UNK_430.3086@22.907 430.3086 22.907 UNK_430.3092@21.967 430.3092 21.967 UNK_431.1273@21.979 431.1273 21.979 UNK_431.2295@16.641 431.2295 16.641 UNK_431.2311@1.546 431.2311 1.546 UNK_431.2317@18.594 431.2317 18.594 UNK_431.2346@19.861 431.2346 19.861 UNK_431.2747@8.869 431.2747 8.869 UNK_432.1564@3.683 432.1564 3.683 UNK_433.031@11.602 433.031 11.602 UNK_433.2042@23.242 433.2042 23.242 UNK_434.0248@12.911 434.0248 12.911 UNK_434.3372@21.876 434.3372 21.876 UNK_434.3404@24.226 434.3404 24.226 UNK_435.1859@1.500 435.1859 1.5 UNK_435.3369@23.137 435.3369 23.137 UNK_436.0257@12.911 436.0257 12.911 UNK_436.1867@20.396 436.1867 20.396 UNK_436.1872@20.822 436.1872 20.822 UNK_436.1882@18.591 436.1882 18.591 UNK_436.1886@17.720 436.1886 17.72 UNK_436.1889@20.208 436.1889 20.208 UNK_436.1893@19.370 436.1893 19.37 UNK_436.189@19.863 436.189 19.863 UNK_436.1904@18.927 436.1904 18.927 UNK_436.2301@8.869 436.2301 8.869 UNK_438.0274@12.915 438.0274 12.915 UNK_438.0953@6.274 438.0953 6.274 UNK_438.1215@12.909 438.1215 12.909 UNK_438.2238@17.161 438.2238 17.161 UNK_438.3115@22.085 438.3115 22.085 UNK_439.1418@10.127 439.1418 10.127 UNK_439.3093@22.775 439.3093 22.775 UNK_440.0909@16.637 440.0909 16.637 UNK_440.2012@16.019 440.2012 16.019 UNK_440.2035@15.907 440.2035 15.907 UNK_440.2122@22.726 440.2122 22.726 UNK_440.292@23.458 440.292 23.458 UNK_440.3204@23.337 440.3204 23.337 UNK_440.3229@22.269 440.3229 22.269 UNK_440.325@4.728 440.325 4.728 UNK_440.3274@22.465 440.3274 22.465 UNK_440.3302@22.044 440.3302 22.044 UNK_441.0914@8.653 441.0914 8.653 UNK_441.1427@5.976 441.1427 5.976 UNK_441.8734@0.528 441.8734 0.528 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UNK_985.6882@23.087 985.6882 23.087 UNK_986.5391@22.562 986.5391 22.562 UNK_986.9023@9.511 986.9023 9.511 UNK_987.0998@9.511 987.0998 9.511 UNK_987.3001@9.510 987.3001 9.51 UNK_987.6996@9.511 987.6996 9.511 UNK_988.5662@22.576 988.5662 22.576 UNK_988.6707@23.060 988.6707 23.06 UNK_988.8968@8.945 988.8968 8.945 UNK_989.0985@8.940 989.0985 8.94 UNK_989.6905@8.961 989.6905 8.961 UNK_989.8971@9.172 989.8971 9.172 UNK_99.1049@2.194 99.1049 2.194 UNK_99.1051@3.237 99.1051 3.237 UNK_990.0977@9.166 990.0977 9.166 UNK_990.2971@9.169 990.2971 9.169 UNK_990.6657@23.087 990.6657 23.087 UNK_991.2975@9.510 991.2975 9.51 UNK_991.4968@9.511 991.4968 9.511 UNK_991.696@9.512 991.696 9.512 UNK_991.8907@9.506 991.8907 9.506 UNK_992.0955@9.507 992.0955 9.507 UNK_992.1583@0.688 992.1583 0.688 UNK_992.1679@1.002 992.1679 1.002 UNK_992.2967@8.974 992.2967 8.974 UNK_992.4939@8.970 992.4939 8.97 UNK_992.657@22.655 992.657 22.655 UNK_992.692@8.970 992.692 8.97 UNK_993.0923@8.969 993.0923 8.969 UNK_993.2981@9.488 993.2981 9.488 UNK_994.4897@9.510 994.4897 9.51 UNK_994.693@9.511 994.693 9.511 UNK_994.89@9.509 994.89 9.509 UNK_995.0881@9.510 995.0881 9.51 UNK_995.2874@9.508 995.2874 9.508 UNK_995.4933@8.154 995.4933 8.154 UNK_995.6892@8.160 995.6892 8.16 UNK_996.6908@8.982 996.6908 8.982 UNK_996.888@8.971 996.888 8.971 UNK_997.0867@8.977 997.0867 8.977 UNK_997.2884@8.981 997.2884 8.981 UNK_997.4869@9.507 997.4869 9.507 UNK_997.4878@8.972 997.4878 8.972 URIDINE-5-MONOPHOSPHATE (M+H)+ 324.0364 0.857 6030 UROCANIC ACID (M+H)+ 138.0436 0.944 736715 VALINE (M+H)+ 117.0791 0.891 6287 VALINE (M+NA)+ 117.0774 0.873 6287 VITAMIN B12 (M+2H)+2 1354.5659 6.928 118701016 VITAMIN B12 (M+2NA)+2 1354.569 6.935 118701016 ZEATIN [ISTD] (M+H)+ 219.1125 3.954 449093