metabolite_name S00027740 S00027741 S00027742 S00027743 S00027744 S00027745 S00027746 S00027747 S00027748 S00027749 S00027750 1-METHYLADENOSINE (M+H)+ 20125 14070 15488 9725 9460 15482 10312 10754 14558 11354 12047 1-METHYLXANTHINE (M+H)+ 1899726 2080067 2157346 1893305 2069199 1899625 1966794 2417199 1755109 1848905 1860649 1-METHYLXANTHINE (M+NA)+ 27750 30277 31392 26927 29581 27861 27077 35333 24442 23698 27202 16:0 LYSO PC (M+H)+ 12700000 18100000 15700000 17600000 26500000 14400000 18500000 18800000 15700000 14300000 14700000 16:0 LYSO PC (M+NA)+ 3603830 4080817 4054814 4037949 4446465 4005575 4419253 4081302 3804699 3879740 3835848 16:0-18:0 PC (M+H)+ 178630 331554 186214 207066 407568 168144 229914 283165 157309 156733 183786 18:0 LYSO-PE (M+H)+ 103281 138699 131736 140827 192607 94414 145294 109814 134112 96007 112967 18:0 LYSO-PE (M+NA)+ 32021 27559 35895 33894 26525 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+ 5583 5327 6561 5159 5228 5121 5723 4357 5381 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+ 7664 6190 5210 8313 2-DEOXY-D-GLUCOSE (M+NA)+ 14932 7948 10109 17102 17740 27780 16081 23838 9090 21760 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+ 48500 87048 20:0 LYSO PC (M+H)+ 81964 131621 99800 60589 147961 52012 104822 111208 76653 68327 110966 24:0 SM (D18:1/24:0) (M+H)+ 381085 587856 208208 367097 616103 355801 442707 471056 292787 367986 348684 24:0 SM (D18:1/24:0) (M+NA)+ 419364 1387000 195090 412375 980589 228559 807594 581383 180772 522047 282430 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 6626 3495 3697 3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ 75393 92502 83829 66722 90551 52873 61187 62180 68619 74248 87529 3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] 7802 6022 9331 4886 9476 9254 5060 11027 24932 3-HYDROXYANTHRANILIC ACID (M+H)+ 4698 2477 1744 1517 3316 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] 163929 76637 80434 45016 66267 40835 29258 24214 61390 87662 52157 3-METHOXYTYROSINE (M+H)+ 32408 29981 12644 28700 27419 27809 25625 22239 37568 3-METHYLXANTHINE (M+H)+ 18900000 20300000 20300000 18200000 19300000 18900000 18900000 23500000 16600000 17600000 18200000 4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] 56995 41090 40904 49291 33230 4-PYRIDOXIC ACID (M+NA)+ 2834 6115 2385 5659 6020 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ 17057 15074 17171 20850 9494 14991 10022 7750 5'-METHYLTHIOADENOSINE (M+H)+ 10860 14909 13359 8157 10977 11625 10727 10779 10109 8921 10345 5-AMINOPENTANOIC ACID (M+H)+ 975145 1531312 4339511 929873 1709177 6039091 1221490 1083427 4001149 913656 1492974 5-HYDROXYTRYPTOPHAN (M+H)+ 33438 44627 45025 16682 17125 31544 36864 41342 33586 5-OXOPROLINE (M+H)+ 232638 158551 207524 206606 200417 207331 190362 189797 198609 247983 236279 ACETYLCARNITINE (M+H)+ 153996 359642 708901 480385 781363 339530 308468 376939 200488 537152 367664 ADENOSINE (M+H)+ 17317 48831 29271 6616 18081 12557 18072 10379 22320 9139 10811 ADENOSINE 5'-MONOPHOSPHATE (M+H)+ 23993 14356 27389 18934 15750 21789 25827 ADIPIC ACID (M+NA)+ 10713 4507 5490 10491 22622 10812 14054 40261 11930 ALANINE (M+H)+ 20566 14659 30902 18475 19669 24674 10873 ALLANTOIN (M+H)+ 7533 7924 8599 5675 ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+ 3170 ALPHA-TOCOPHEROL (M+H)+ 71238 63110 53884 67173 41800 66228 70749 54514 60801 71887 74693 ASPARAGINE (M+H)+ 23611 19806 25478 18124 18742 10724 21719 6521 13628 15559 ASPARTIC ACID (M+NA)+ 19604 AZELAIC ACID (M+H)+ 3516 1890 1890 AZELAIC ACID (M+H)+[-H2O] 18566 18799 15922 43249 20388 11822 19275 23792 17776 13315 17447 AZELAIC ACID (M+NA)+ 52762 50675 43010 121028 54941 29460 52317 67197 46685 30816 44718 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ 2148 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+ 1548 2553 1714 2133 1876 BILIVERDIN (M+H)+ 169658 67130 116580 79158 109420 70373 128211 132607 157571 110967 94512 BILIVERDIN (M+NA)+ 13242 5327 8004 4973 8366 5010 9144 10399 11664 11054 6853 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 51228 105463 75497 85138 94445 98076 78562 74855 42018 90167 54250 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ 577568 1661546 1247571 1180942 1300056 995698 981832 946775 398200 1143065 703441 BUTYRYLCARNITINE (*) (M+H)+ 127153 132144 120104 126266 81300 154519 82725 159703 140030 77770 255520 CAFFEINE (M+H)+ 682470 26077 7939 42003 57011 29454 41188 3332 CALCIDIOL (M+H)+[-H2O] 12571 22194 18028 35086 15112 17923 18799 16553 18400 16783 11458 CALCIDIOL (M+NA)+ 13680 2539 12470 4235 CARNITINE (M+H)+ 9481 26298 16846 495082 53686 5916 670295 34860 26001 363282 36492 CARNOSINE (M+NA)+ 35547 18650 22911 34760 16706 17387 22246 2642 24515 CHOLESTEROL (M+H)+[-H2O] 772643 649660 726187 674451 582923 862714 804684 697244 713259 778945 777802 CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] 60098 19907 35953 7268 24533 63496 32321 21553 CHOLINE PHOSPHATE (M+H)+ 24985 25932 24833 16303 18551 22943 20528 25889 20781 15565 26544 CITRIC ACID (M+NA)+ 354749 245936 323771 167028 293291 262582 340387 245604 311589 379619 356262 CORTICOSTERONE (M+H)+ 5522 10536 5276 13438 4455 CORTICOSTERONE (M+NA)+ 6964 3058 1974 5156 11663 5331 14967 4140 4756 CORTISOL (M+H)+ 110824 108106 52064 164023 221651 107235 106009 196412 78352 74885 134117 CORTISOL (M+NA)+ 150268 157964 81895 199283 259935 145933 154601 237890 114813 101157 168006 CORTISONE (M+H)+ 34235 31456 25101 52281 51927 32530 34013 36906 26319 29917 42041 CORTISONE (M+NA)+ 30312 29575 22242 44468 48666 29029 31840 33820 24792 26442 36812 CREATINE (M+H)+ 84760 65880 143683 43245 40494 73525 CREATININE (M+H)+ 4971 9214 13736 14223 29065 CYSTATHIONINE (M+H)+ 18966 16826 15108 16225 17007 16129 14721 15291 CYSTEIC ACID (M+H)+ 15332 18159 17886 19850 14464 15377 7512 19169 6851 8490 7908 CYSTINE (M+NA)+ 1360 2526 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 4247 7401 4959 4719 4016 4475 1312 7245 5416 3522 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+ 6791 9688 8729 7254 9463 7325 4934 9263 CYTOSINE (M+NA)+ 3064 4353 3692 5354 4815 DECENOYLCARNITINE (*) (M+H)+ 390947 41634 51339 6782 30746 DEOXYCHOLIC ACID (2M+NA)+ 64048 17732 DEOXYCHOLIC ACID (M+H)+[-H2O] 37192 6007 21033 6970 DEOXYCHOLIC ACID (M+NA)+ 47539 23078 8065 DESMOSTEROL (M+H)+[-H2O] 4847 10638 8251 10042 9066 10830 4977 DIETHYLSTILBESTROL (M+NA)+ 8661 4246 DIPALMITOYL-GLYCEROL (M+NA)+ 51114 65148 96552 448743 147550 163253 84365 306447 102091 49414 56662 DODECENOYLCARNITINE (*) II M+ 172221 91518 177748 63713 14379 44955 112028 159788 29805 19502 56777 DUMP (M+H)+ 2726 3831 8501 13491 11195 6659 3748 6573 5375 EICOSADIENOYLCARNITINE (*) (M+H)+ 5842 8330 5779 5000 14589 2881 5659 12637 5432 10975 12426 EICOSANOYLCARNITINE (*) (M+H)+ 6381 9938 9442 6136 10942 5088 6674 8103 7206 5614 7861 EICOSENOYLCARNITINE (*) (M+H)+ 12151 27258 10110 10376 15002 16176 ELAIDIC ACID (M+H)+ 78416 45462 33083 72191 44436 53832 EPIBRASSINOLIDE [ISTD] (M+H)+ 1750707 1976087 2019793 2028819 1953022 1999258 1962281 1993075 1896139 1943789 1835364 EPIBRASSINOLIDE [ISTD] (M+NA)+ 1251023 1357583 1406103 1357374 1373868 1369432 1395768 1484371 1299735 1307154 1288969 ESTRONE (M+H)+ 8761 6089 7563 4608 8648 5662 9045 6260 7693 GAMMA-LINOLENIC ACID (M+NA)+ 38621 53137 50725 21382 48812 10828 51842 30057 24726 27820 GENTISURIC ACID (M+H)+ 3412 2999 5450 1957 2656 3863 1515 3377 3322 GLUCOSAMINIC ACID (M+NA)+ 10746 9865 8972 15188 5952 11978 6457 10679 9409 9548 8441 GLUCOSE (M+NA)+ 43385 64169 58146 78436 90611 33176 91075 47417 122123 GLUTATHIONE OXIDIZED (M+H)+ 2044 1186 GLUTATHIONE OXIDIZED (M+H2)+2 12229 10860 11954 22332 11609 11639 14941 19761 13325 22766 GLYCEROL MYRISTATE (M+H)+[-H2O] 4065 2228 2937 2317 2332 3069 2579 GLYCOCHENODEOXYCHOLIC ACID (M+H)+ 17278 25514 55549 15761 10665 29877 73865 6410 43139 7004 GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] 295204 415621 17899 787529 254499 185302 449509 979520 112489 586297 115747 GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ 159538 223373 12060 438703 136327 105460 250464 571857 59638 335384 60400 GLYCOCHOLIC ACID (M+H)+ 98811 142180 2864 206326 37677 40969 66735 208502 27205 86914 22633 GLYCOCHOLIC ACID (M+H)+[-H2O] 53643 24253 21006 20099 8914 10550 104281 15817 52270 11854 GLYCOCHOLIC ACID (M+NA)+ 53917 77096 1805 111433 19795 22989 35167 108159 15901 47916 12764 GUANINE (M+H)+ 22133 21107 21726 88394 20451 25758 33659 17244 22986 21162 GUANOSINE (M+H)+ 3800 4981 5498 3046 HEXANOYLCARNITINE (*) M+ 106483 94583 182408 63359 101558 101014 151221 170832 66053 107594 178202 HIPPURIC ACID (M+H)+ 368713 178727 178847 92977 153301 88999 65790 53829 132923 195888 116759 HIPPURIC ACID (M+NA)+ 455395 219730 231208 110898 203294 114562 87082 70910 172263 233066 156469 HISTAMINE (M+NA)+ 1604 2643 1278 HOMOGENTISIC ACID (M+H)+ 9900 59786 23131 56840 15663 19960 98698 132842 HOMOSERINE (M+NA)+ 1384 1600 1699 HYODEOXYCHOLIC ACID (M+NA)+ 11471 9392 HYPOXANTHINE (M+H)+ 216898 102664 180297 367311 540952 132906 97033 181060 121161 437412 200233 HYPOXANTHINE (M+NA)+ 21269 116220 INDOLE-3-ACETALDEHYDE (M+H)+ 372956 585261 556316 202402 404415 330284 162072 359742 657931 252815 436099 INDOLE-3-ACETIC ACID (M+H)+ 201843 195042 157150 154579 89472 322176 124531 142164 160441 208143 208302 INDOLE-3-ACETIC ACID (M+NA)+ 53954 53720 43678 41594 24873 86307 23960 38209 44018 50527 54971 INOSINE 5'-PHOSPHATE (M+H)+ 14847 17032 16070 5074 13267 12230 8170 5345 8777 9336 14388 ISO-BUTYRYLCARNITINE (*) (M+H)+ 267695 591612 226122 389289 156894 253728 154965 286619 140030 168789 255520 ISOLEUCINE (M+H)+ 33200000 22700000 19100000 21800000 22300000 24700000 21200000 28300000 19400000 30800000 18100000 ISOLEUCINE (M+NA)+ 233744 288960 258221 245156 291250 294295 265369 356979 236347 244311 274458 ISOVALERYLCARNITINE (*) (M+H)+ 280039 293303 205671 182864 248429 135265 217129 277607 99714 185048 162818 KYNURENIC ACID (M+H)+ 27862 35345 25269 38716 23752 22751 18927 29632 15595 19148 KYNURENINE (M+H)+ 545492 763816 786848 780358 450407 663136 448639 502068 591017 336967 452904 KYNURENINE (M+NA)+ 14063 21998 20131 23063 13981 19010 11865 14629 18832 10801 12604 L-ARGININE (M+H)+ 4662 7685 6856 5981 9125 5078 8925 7806 7316 7011 8337 L-ARGININE (M+NA)+ 4447 5548 5145 4006 4215 6785 5414 6533 6999 L-HISTIDINE (M+H)+ 1745 4952 5543 3781 1875 4517 4936 L-HISTIDINOL (M+H)+ 1276 1493 1943 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 4691699 4999097 5007349 5192274 5056218 5169351 5013883 4932750 5098856 5204661 5060355 LAUROYLCARNITINE (M+H)+ 44291 39355 41654 11581 14770 68206 41738 89375 16996 20690 18137 LITHOCHOLIC ACID (M+NA)+ 12395 4965 9606 LYSINE (M+H)+ 35980 43159 31370 36196 39331 41954 44214 46816 31901 42443 37199 LYSINE (M+NA)+ 6647 8095 6778 8445 8503 6733 9209 8222 M-HYDROXYMANDELIC ACID (M+H)+[-H2O] 1661 1352 METHIONINE (M+H)+ 2047847 2517690 2417968 2582719 2682467 2414608 2860374 3679453 1999845 2733329 2655738 METHYL BETA-D-GALACTOSIDE (M+NA)+ 135229 106359 110259 200161 110768 129211 109681 141178 90772 158526 83453 METHYL INDOLE-3-ACETATE (M+H)+ 19502 10006 9129 6739 8733 METHYL JASMONATE (M+NA)+ 24254 42684 27957 33973 19609 24078 26027 28381 15861 24511 23747 N-ACETYL-D-TRYPTOPHAN (M+H)+ 3784 2037 2323 1191 N-ACETYL-DL-METHIONINE (M+H)+ 4471 1783 N-ACETYL-DL-SERINE (M+H)+[-H2O] 172217 111889 146539 179055 141440 143074 141185 110114 154854 243298 233744 N-ACETYL-L-ALANINE (M+NA)+ 3080 11323 7822 5225 2649 N-ACETYL-L-LEUCINE (M+H)+ 1308 1418 N-ACETYL-L-PHENYLALANINE (M+NA)+ 2783 1090 N-ACETYLGLYCINE (M+NA)+ 2349 13795 1581 1935 5965 2951 3707 3161 N-ACETYLNEURAMINIC ACID (M+H)+ 5904 5377 4678 4848 4457 5137 4576 4108 4385 4067 N-ACETYLSEROTONIN (M+NA)+ 2002 1625 2194 N-CYCLOHEXYLFORMAMIDE (M+H)+ 6569 6095 5525 8157 7382 5206 6431 7471 8340 10019 5959 N-CYCLOHEXYLFORMAMIDE (M+NA)+ 2012 5052 3964 4654 4943 5276 5547 4341 NAD (M+H)+ 3057 4653 2913 2572 3359 5918 NICOTINAMIDE (M+H)+ 114757 116098 116991 29100 93241 89472 59969 69561 95628 50064 78516 NICOTINAMIDE MONONUCLEOTIDE (M+NA)+ 1776 NONANOIC ACID (M+NA)+ 2402 3415 4310 2726 4529 4793 4912 2656 OCTANOYLCARNITINE (*) (M+H)+ 393656 413358 904037 352079 304143 605644 859207 565697 401318 404869 740320 OCTENOYLCARNITINE (*) M+ 571376 240729 149848 38233 82969 103238 404418 151085 102754 260031 179394 OLEAMIDE (M+H)+ 391566 474165 480793 432250 419592 442978 471327 530112 405942 476546 351897 OLEAMIDE (M+NA)+ 296148 406840 432653 363794 290577 455877 356469 321463 269461 OLEIC ACID (M+H)+ 20667 14009 10175 17658 28293 18475 23972 12974 11621 23788 OLEIC ACID (M+NA)+ 124524 157025 169088 155480 119802 145779 155757 78191 137491 118995 OLEOYL-GLYCEROL (M+NA)+ 90101 101209 107889 93635 88826 60035 113581 81106 57264 75438 68182 OLEOYLCARNITINE (*) (M+H)+ 454804 370922 397921 283993 741563 226440 407185 487797 384541 557015 655048 ORNITHINE (M+H)+ 12023 7680 8324 10897 11890 14441 10677 13436 8044 15619 17265 PANTOTHENIC ACID (M+H)+ 63805 36984 36021 28137 46385 27811 28118 38416 39169 28079 24820 PANTOTHENIC ACID (M+NA)+ 33896 23138 18116 18267 25936 15844 20251 19774 16149 14811 PHENYLALANINE (M+H)+ 312328 316627 487752 288229 353643 285771 50012 356786 304612 418464 323329 PHENYLALANINE (M+NA)+ 1559 2808 1947 2384 2671 3209 PIMELIC ACID (M+NA)+ 9691 4845 2837 3517 5518 4358 PIPECOLIC ACID (M+H)+ 382262 364242 563862 312574 313821 314841 218313 265978 265437 321940 PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ 19724 8370 18396 9217 13135 10613 PROGESTERONE (M+NA)+ 3445 PROLINE (M+H)+ 130518 191106 171435 253039 214620 275103 63626 419876 PROPIONYLCARNITINE (*) (M+H)+ 79961 375173 109918 217814 183668 269726 175060 156784 76499 194240 108615 PROSTAGLANDIN E2 (M+H)+ 38580 8315 29026 26157 23628 36827 18763 34226 RIBOFLAVIN (M+H)+ 10573 3937 2436 4087 3025 2785 3438 SEBACIC ACID (M+NA)+ 9501 9998 13972 9345 2930 33084 7312 18565 SELENOMETHIONINE (M+H)+ 8856 5225 7563 3506 1665 7875 4459 6763 3873 SEROTONIN (M+H)+ 288579 481317 477954 337573 275206 161857 286513 577670 213256 379013 SEROTONIN (M+NA)+ 3033 9879 12520 8357 7240 7019 5322 9502 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 23900 67846 74359 29342 19601 57028 66724 92799 49709 66939 SPERMIDINE (M+H)+ 10368 42951 13093 20571 44098 6559 18323 15952 22870 34742 36623 SPERMINE (M+H)+ 20596 13912 6031 9349 11935 10383 16885 7958 19770 4337 6552 SPHINGANINE (M+H)+ 2318 STEAROYLCARNITINE (*) (M+H)+ 90511 136819 113043 58748 196174 59920 121238 150980 68837 79795 102417 SUBERIC ACID (M+H)+[-H2O] 6439 6596 6048 15366 8156 5520 8925 7626 3973 6652 SUBERIC ACID (M+NA)+ 12945 12191 12418 37371 18783 10810 15363 19616 19856 8427 17599 TAUROCHENODEOXYCHOLIC ACID (M+NA)+ 16339 21990 12305 25832 4239 TAUROLITHOCHOLIC ACID (M+H)+[-H2O] 3781 4420 2454 4281 TETRADECENOYLCARNITINE (*) M+ 40140 12679 40465 7363 33067 26625 45888 23123 19354 38546 77437 THEOBROMINE (M+H)+ 311430 3359 9873 230718 151069 468112 219548 397584 1138722 122631 137307 THEOPHYLLINE (M+H)+ 101802 17112 4385 THEOPHYLLINE (M+NA)+ 69058 10812 5011 5068 3096 THREONINE (M+H)+[-H2O] 42326 48655 51813 55655 56144 42072 49494 38196 55093 44898 THYROXINE (M+H)+ 42902 25873 68223 52090 67057 88997 57510 72917 95278 77148 72700 TRANS-4-HYDROXYPROLINE (M+H)+ 74373 108577 139466 102812 94027 32053 83511 182534 TRYPTOPHAN (M+H)+ 11800000 17000000 16200000 16900000 15000000 13800000 14300000 17300000 13900000 13300000 14000000 TRYPTOPHAN (M+NA)+ 487580 620225 589686 616614 571706 547069 561010 642661 564292 517487 534683 TYROSINE (M+H)+ 5558614 5232305 6373250 5957423 5036405 7773492 6427385 9124538 5013136 6188070 5521586 TYROSINE (M+NA)+ 189289 213838 213350 137937 124357 220569 132017 268909 109593 190868 177195 UNK_1000.589@21.979427 20245 12199 14589 18683 30586 19694 18024 19987 26468 UNK_1000.6512@22.432941 44069 19717 13356 27654 27561 39861 24027 38842 41647 32976 25489 UNK_1001.695@0.5015835 6983 8604 8100 5209 7782 6695 7502 7210 6935 6780 7360 UNK_1010.5645@22.129944 20763 28772 23477 48122 58164 28453 27635 36267 22809 20309 25665 UNK_1013.4813@21.56703 8247 17168 2416 UNK_1013.6993@0.5026925 8041 7483 7385 6423 7532 8212 7871 7382 7352 8093 7752 UNK_1018.673@23.36865 10415 12774 12932 8587 11621 11047 13647 9452 8265 UNK_1019.5644@23.24225 7492 36251 13889 18214 13176 9188 11279 9927 10564 9428 15634 UNK_102.0234@15.589697 10760 13627 12043 8020 15295 17926 UNK_1020.555@21.990887 14232 26303 36090 40185 30192 12086 15817 9883 25030 UNK_1022.7175@23.07987 7933 10416 11736 13279 12065 11330 10090 6089 9773 UNK_1024.5822@21.840921 21258 56740 4475 31352 1280 UNK_1024.7859@23.596907 8469 13574 12272 7231 7692 3819 13812 8525 UNK_1024.7874@23.823605 6208 12225 7947 11634 7684 10863 7316 7688 8083 UNK_1028.6073@22.132158 1670854 2080799 2068848 2093214 2163928 80121 2184774 2052558 1849640 1892562 1875093 UNK_1029.5687@6.984089 7052 8198 7870 2506 6326 8095 4084 2375 4995 6135 10170 UNK_1029.682@0.5012728 10975 13893 13148 7335 13104 11476 12657 11721 10838 11996 12004 UNK_103.0458@0.9535721 189697 231120 219031 234447 239184 221438 260316 326966 179848 246388 242002 UNK_103.0996@21.967606 31541 37980 54252 53322 40641 34659 39491 UNK_103.0997@22.13558 94895 42868 111165 48690 38944 110118 128585 109740 109002 95702 102510 UNK_103.0997@22.290134 84180 77876 80207 72649 65103 101491 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UNK_910.5461@22.301056 27937 16437 17894 40422 15702 36992 31315 UNK_912.4095@23.23582 152386 76721 129848 61738 141411 82191 186271 135793 210130 148823 148589 UNK_912.5849@25.728931 33578 24839 37911 20656 43803 39802 55255 23296 58924 38665 35765 UNK_913.5336@25.291819 78045 54667 88771 52978 61216 81153 40299 64204 83816 93081 68329 UNK_914.218@0.7590003 156337 133242 132448 173590 135306 150818 143933 147279 140117 133621 127660 UNK_914.6023@26.481873 22268 21342 36243 35419 27153 46541 48687 42665 34160 37657 UNK_914.735@23.826248 68803 17560 17328 35145 10980 14415 19715 24043 19575 32285 23757 UNK_915.232@3.5685687 8187 10158 10587 10624 9808 9291 10302 11415 9493 9105 UNK_915.6394@28.48175 151546 213181 169812 139741 86256 139179 203110 141829 154110 UNK_917.5433@24.900522 21970 19834 24345 22966 16041 33012 30637 19702 31382 35086 24756 UNK_918.351@23.237806 6633 5142 12879 6789 9045 5981 13873 8296 12250 11271 7987 UNK_92.0481@5.29847 36262 40458 41416 42763 39871 41036 38828 39756 38287 39268 39363 UNK_920.2273@0.7744549 23034 18947 20550 25728 20872 22878 22426 20913 20780 20199 20647 UNK_920.3769@23.238268 11664 8850 13789 9339 12636 8538 15682 13028 15538 14065 13026 UNK_920.5602@26.130478 18701 4289 18565 37785 22180 21909 19091 14226 19507 26721 UNK_920.5621@25.94942 7600 30894 17822 18482 39650 21571 21339 UNK_921.454@23.954367 23693 27329 29846 31282 19689 UNK_922.2088@0.76071453 25579 25748 24727 24816 25076 24503 24192 23418 24166 24540 24910 UNK_922.6288@22.716635 23506 18493 11722 18390 17490 23161 22296 UNK_922.6618@22.91599 49592 79869 75996 41395 66501 34911 61164 40828 25089 46876 50500 UNK_923.4651@24.158602 5486 1576 1587 UNK_926.7212@23.141148 24231 17455 24362 19271 17286 13873 UNK_926.7319@23.540936 12190 88011 81435 84715 84977 63970 68639 50948 91159 50797 UNK_927.4816@24.853584 10259 6222 17882 UNK_927.4973@25.172401 46010 41099 50572 51598 14444 45044 39999 41643 37044 51550 47487 UNK_927.7555@0.5383335 7156 6315 6922 7076 6960 6804 7125 6454 6788 7014 6980 UNK_928.402@23.235962 32578 18782 30361 16441 31920 20726 40865 30644 45902 33625 UNK_928.7122@22.919024 37975 23502 27487 12621 35004 25149 19127 27657 27609 UNK_928.7122@23.176298 48840 69798 52061 44222 98340 35400 60562 61142 49507 46848 44985 UNK_929.1825@0.7861433 113339 94392 100335 126468 112590 105588 106205 103134 103686 106886 105226 UNK_929.5172@25.632273 43892 73505 34585 28107 11099 34914 20527 19108 32733 27656 22126 UNK_930.6295@22.826096 36380 41456 26236 33862 16188 43771 28175 60720 31945 52390 34281 UNK_930.6382@23.384588 4461 8107 7825 7078 7634 4176 7241 6974 5740 6754 5129 UNK_932.1462@0.65457165 2858 4515 4376 2244 3988 3714 3588 4414 4514 5044 4564 UNK_932.3773@23.237541 15121 5417 17418 6891 15367 8458 21371 14670 21054 16836 16617 UNK_932.5578@25.724705 70579 59203 60491 56178 90106 90791 80658 70975 79603 93761 71887 UNK_934.3865@23.236177 23294 11974 27626 13779 24223 15530 31567 22778 34156 27470 26383 UNK_934.5772@26.48147 121566 124607 101818 108040 101730 126592 119085 96276 125577 79239 128075 UNK_934.5875@22.71198 10643 12186 11981 7804 11832 27777 14557 10464 5043 10564 12045 UNK_935.5133@24.9011 9435 11685 15744 17539 8944 24811 13046 15771 11747 16319 12753 UNK_936.1998@0.73885745 86351 84703 83094 92873 83538 89834 86841 88159 84302 86524 82093 UNK_936.3949@23.236889 12389 7449 15770 7649 12554 8541 16655 12824 16496 14338 14298 UNK_936.5742@20.366747 14753 24161 69278 11445 5707 24640 96087 41993 UNK_936.5975@27.791086 65269 108985 45565 60440 57116 82057 73405 68677 50095 UNK_937.6314@22.559391 6683 4228 8026 16757 5394 13650 28173 4487 UNK_938.1925@0.7539003 25661 22413 23421 28251 23549 26321 24878 24458 23310 22892 23384 UNK_938.6511@22.904247 35303 28942 21874 35701 8948 30152 39880 9686 34101 29421 UNK_939.5497@23.242462 16387 40839 24696 27994 22191 20185 19256 20875 18660 19308 26015 UNK_940.3436@23.608078 7800 5306 4928 14885 2488 9029 2201 2221 UNK_940.6127@22.713549 27686 25652 21456 19317 30197 43063 27623 20725 16127 21857 13218 UNK_941.6133@22.574636 48447 14810 14697 25718 12923 15680 18384 28691 UNK_942.216@0.7006431 192464 150444 188575 117587 193987 194390 187677 189214 185027 202209 178994 UNK_942.4172@23.236559 15063 11518 18410 10376 18603 9747 24024 14210 23428 17289 19468 UNK_944.4301@23.236767 12145 7669 12675 6543 13892 9093 14908 12235 15735 11988 12415 UNK_946.394@23.615303 11849 11307 16703 10532 11501 6323 13591 13674 8968 UNK_947.4495@23.965868 11870 26041 22004 UNK_947.4684@24.237667 15251 4243 20266 14612 5715 22708 12355 13539 20480 14587 16217 UNK_948.3677@23.237885 7667 2854 11928 5505 10151 6941 11448 8190 10396 10455 9593 UNK_948.6183@22.268417 15229 25632 17737 36875 41629 20793 27093 23074 22637 16061 16490 UNK_948.6917@23.103174 74957 24460 30770 46140 64283 51984 35451 95155 41628 43525 UNK_949.4688@24.16809 12857 2502 4079 4365 UNK_949.4688@24.16809 + 24.14425 30390 31831 30760 UNK_950.3806@23.236464 26830 13667 30135 15452 27863 17960 34685 25674 38958 28255 29440 UNK_950.6498@22.883148 39415 30145 42392 44763 66024 47918 73635 29593 67899 64138 UNK_950.7104@23.12338 123629 59198 48398 59373 75890 94628 72228 86947 146085 66970 62706 UNK_952.1673@0.7570003 61727 55460 56906 66148 57413 60787 59051 59716 56477 56508 53264 UNK_952.5624@25.728344 56519 27832 36862 29048 32810 32408 49835 29304 32704 34069 34406 UNK_952.6038@23.260683 15663 5701 13254 7007 23092 10565 25143 7321 11321 9791 10131 UNK_952.6674@22.853392 65434 73931 41551 82916 46667 110236 72825 106084 89089 86371 89808 UNK_954.6758@22.865705 47542 35694 26356 37473 37938 41120 37782 53298 53916 44325 40970 UNK_955.6483@22.144564 5747 6027 3742 7097 7601 11208 8032 15956 16648 9966 9319 UNK_956.6695@23.180801 15339 16553 5804 10185 23099 14388 20787 12161 11322 17127 12009 UNK_957.5281@23.240747 51241 17199 20334 15388 11414 13900 14186 12430 17489 UNK_957.6631@22.136717 6871 4673 7962 6919 12838 20267 9661 9062 UNK_958.1879@0.708286 128368 78116 127504 156475 127765 138523 126356 129889 126525 133475 117049 UNK_958.6917@22.852236 23607 20557 14726 23981 17727 26364 20416 38306 21464 35782 40000 UNK_959.5733@0.5971431 4633 4496 3440 3560 4150 4338 3713 3987 4852 4809 UNK_961.5029@24.896915 4411 9670 5679 7812 7911 6759 UNK_962.159@0.7572146 21444 16084 15052 23468 19229 19392 17379 14309 17257 16573 17665 UNK_962.576@26.353224 29867 27548 34658 34728 15891 33644 19491 26864 44394 37895 34101 UNK_963.5183@25.543621 12192 12947 17161 12864 10961 28779 51783 16797 12037 9558 13679 UNK_964.1972@0.6778574 71637 80207 78868 57463 81231 76084 77724 76387 71591 81432 75617 UNK_967.1378@0.7812504 42796 39341 40618 48885 41527 41457 40298 40737 39363 38723 UNK_967.6891@25.497555 15658 13803 4764 12588 7370 5611 5625 14577 10820 7394 9103 UNK_969.7348@0.50525016 6888 5894 5023 5246 5674 5750 6308 5652 6115 6373 7148 UNK_970.5976@22.272131 15992 16914 11358 21501 26733 18071 22270 25223 15858 19290 19511 UNK_971.7826@23.238894 13975 20207 5232 10420 15118 15461 15069 11671 18569 18077 UNK_972.0216@23.705872 2660 2825 1914 1832 5496 4772 2159 1764 2798 2766 UNK_972.4208@23.238533 7058 4194 7743 8536 4136 10893 7163 9785 8178 8811 UNK_972.6166@22.126728 9185 11904 7379 13812 23687 11095 8271 14290 12773 9862 9757 UNK_973.4676@24.25963 20447 21279 25507 6631 14351 22634 17819 18021 UNK_973.4677@24.098299 21803 12529 12097 4130 14324 8055 11024 24631 10869 UNK_974.4372@23.23781 8899 5443 10032 4831 8562 5155 11373 8791 11929 9324 9988 UNK_974.6285@22.286243 52273 6957 5019 8630 17658 8382 7836 23456 14759 20262 UNK_974.6601@23.377514 10467 10352 10385 9314 10179 8906 9277 6920 UNK_974.6901@23.071688 20682 18039 21884 13001 30230 16591 32555 22499 21534 21520 16516 UNK_974.7043@22.861118 38985 31318 53531 55470 95334 37831 64642 128743 66403 88994 UNK_975.0331@23.705776 5496 7693 4187 3655 14602 5631 9651 4364 2964 5702 7162 UNK_975.3667@23.706125 4875 6927 4510 3650 13556 3957 7885 5032 2950 6579 5277 UNK_975.7587@0.54050016 6056 4452 5034 6869 5586 5993 4814 5058 4855 7045 6219 UNK_976.5176@10.091909 5780 9744 11115 3270 7622 7427 1802 2187 8797 7672 10315 UNK_978.6868@22.853031 39614 23605 25333 26299 48466 23036 41764 42736 40520 34203 UNK_980.1731@0.67850024 49178 49682 51892 58022 53066 55414 48644 52616 51948 51887 48021 UNK_980.3969@23.238466 5111 4819 6975 3964 7855 6111 4630 UNK_980.581@26.741615 15963 30059 20974 20696 24596 19227 24810 26438 24470 22596 UNK_980.6596@19.894218 7611 8749 8914 9092 9028 8421 9024 8055 8464 8481 8129 UNK_980.6966@22.954782 53433 38173 24002 42659 40636 68032 27623 61327 67800 61281 UNK_981.6567@22.133589 10697 11395 7255 11592 13860 12027 5618 25088 20944 14030 12309 UNK_981.6586@22.298716 57823 32685 23327 28922 36872 12422 30002 41522 68119 61297 36764 UNK_982.6728@19.895077 498082 556885 579860 580656 564499 585431 573697 564187 591530 584128 598939 UNK_982.672@19.553118 6965 5799 5870 6704 6502 7290 6843 4125 9287 9555 11720 UNK_983.6728@22.300682 36449 16510 16937 30032 20033 71698 24975 32633 126437 42364 24007 UNK_984.5678@21.88494 15573 10077 12267 13579 17865 26254 15336 30778 24300 16186 10145 UNK_986.1779@0.66071457 17632 22771 21616 16130 22388 19917 19741 21779 20040 21836 21754 UNK_986.568@22.27678 40596 61564 50486 82895 59753 57118 61077 47917 51808 53119 47713 UNK_988.586@26.7411 20041 60047 20453 24400 50830 23369 41928 17045 21526 22103 9743 UNK_99.0679@2.612407 50068 57846 4054 237540 3780 12356 15851 9463 39597 UNK_990.6061@27.792618 15803 29514 9648 13754 23912 9993 22350 18862 7970 18389 10727 UNK_990.6734@23.117075 21840 4696 20073 1106 22552 UNK_992.3866@23.238352 4473 6475 2999 4829 2562 6768 4027 7165 5749 4326 UNK_992.6699@22.857079 19309 17926 13740 21156 34140 34232 UNK_994.4105@23.238304 7801 3204 8793 3740 7370 4520 11377 6780 11602 9522 8035 UNK_994.5995@22.128878 11915 6292 16745 19680 17458 13597 UNK_996.4262@23.237604 9937 5559 10142 5924 10301 6650 12644 9335 14246 11065 9977 UNK_996.5617@21.979204 12783 11568 14271 15407 22483 12291 15319 18115 8841 UNK_996.6182@22.102148 58718 72343 49153 100147 165442 61303 67166 134698 54836 51768 62822 UNK_996.6227@21.96258 7147 4473 4691 104343 10597 4757 4804 10934 6015 4893 4212 UNK_997.7194@0.5068335 5246 5332 4970 4088 4738 4980 4918 4692 4672 4923 5425 UNK_999.7215@0.50583345 4455 5076 4518 4425 4377 4486 4483 4023 4482 5152 5513 URIC ACID (M+H)+ 2109688 1319005 1842521 1616267 1670252 1865767 1967550 1208047 1978481 1704671 1672124 URIC ACID (M+NA)+ 58135 96580 53222 62842 41016 112824 53205 36119 96893 43565 37922 URIDINE (M+H)+ 22360 30504 25497 10765 28864 14556 29118 22401 30889 16984 19510 URIDINE (M+NA)+ 36989 54107 41716 19569 59357 32651 29887 42704 23054 34053 36599 UROCANIC ACID (M+H)+ 11172 6880 9321 17949 8652 7325 URSODIOL (M+NA)+ 225584 129218 88381 143865 30105 112475 106446 214190 284548 VALINE (M+H)+ 3535714 4898283 4382326 3907578 4004430 6039374 3782121 4640836 4001149 2967089 3112013 VALINE (M+NA)+ 5347 5112 7817 5418 13451 6303 XANTHURENIC ACID (M+H)+ 4143 3988 2345 10659 4644 ZEATIN [ISTD] (M+H)+ 842774 893121 844919 883374 866146 845519 809101 856694 858389 838074 785939 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-METHYLADENOSINE (M+H)+ 281.1126 2.987 27476 1-METHYLXANTHINE (M+H)+ 166.0482 2.478 80220 1-METHYLXANTHINE (M+NA)+ 166.0479 2.472 80220 16:0 LYSO PC (M+H)+ 495.3333 22.255 460602 16:0 LYSO PC (M+NA)+ 495.333 22.246 460602 16:0-18:0 PC (M+H)+ 761.5917 25.434 18631368 18:0 LYSO-PE (M+H)+ 481.3152 22.651 9547068 18:0 LYSO-PE (M+NA)+ 481.3261 22.649 9547068 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+ 141.0195 0.609 1015 2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+ 141.0193 0.612 1015 2-DEOXY-D-GLUCOSE (M+NA)+ 164.0682 0.677 439268 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+ 150.0323 3.459 11427 20:0 LYSO PC (M+H)+ 551.3959 22.952 24779473 24:0 SM (D18:1/24:0) (M+H)+ 814.6923 27.791 44260127 24:0 SM (D18:1/24:0) (M+NA)+ 814.6927 27.785 44260127 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] 402.3421 22.76 65094 3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+ 153.0399 1.173 65083 3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O] 172.0353 0.948 439774 3-HYDROXYANTHRANILIC ACID (M+H)+ 153.0429 2.885 86 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] 122.0366 4.783 101 3-METHOXYTYROSINE (M+H)+ 211.0837 1.975 9307 3-METHYLXANTHINE (M+H)+ 166.0522 2.478 70639 4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O] 184.0743 2.54 688030 4-PYRIDOXIC ACID (M+NA)+ 183.0497 1.835 6723 4-QUINOLINECARBOXYLIC ACID #2 (M+H)+ 173.0469 4.942 10243 5'-METHYLTHIOADENOSINE (M+H)+ 297.0903 4.469 439176 5-AMINOPENTANOIC ACID (M+H)+ 117.0781 0.727 138 5-HYDROXYTRYPTOPHAN (M+H)+ 220.084 1.742 439280 5-OXOPROLINE (M+H)+ 129.0439 1.164 7405 ACETYLCARNITINE (M+H)+ 203.1153 0.904 18230 ADENOSINE (M+H)+ 267.0967 1.747 60961 ADENOSINE 5'-MONOPHOSPHATE (M+H)+ 347.0626 0.913 6083 ADIPIC ACID (M+NA)+ 146.0564 3.465 196 ALANINE (M+H)+ 89.0475 1.213 5950 ALLANTOIN (M+H)+ 158.0458 0.619 439714 ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+ 260.0292 0.494 123912 ALPHA-TOCOPHEROL (M+H)+ 430.3806 24.512 14985 ASPARAGINE (M+H)+ 132.0514 0.643 6267 ASPARTIC ACID (M+NA)+ 133.0358 0.619 5960 AZELAIC ACID (M+H)+ 188.1036 10.781 2266 AZELAIC ACID (M+H)+[-H2O] 188.1043 10.769 2266 AZELAIC ACID (M+NA)+ 188.1059 10.769 2266 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ 240.1248 0.666 112072 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+ 240.122 0.668 112072 BILIVERDIN (M+H)+ 582.248 18.691 5280353 BILIVERDIN (M+NA)+ 582.2521 18.697 5280353 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ 390.2788 23.079 8343 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ 390.2776 23.077 8343 BUTYRYLCARNITINE (*) (M+H)+ 231.147 2.895 213144 CAFFEINE (M+H)+ 194.0824 5.879 2519 CALCIDIOL (M+H)+[-H2O] 400.3317 22.552 5283731 CALCIDIOL (M+NA)+ 400.3271 22.585 5283731 CARNITINE (M+H)+ 161.1042 0.618 10917 CARNOSINE (M+NA)+ 226.1059 0.656 439224 CHOLESTEROL (M+H)+[-H2O] 386.3558 24.557 5997 CHOLESTEROL HYDROGEN SULFATE M+[-HSO4] 466.3108 23.852 65076 CHOLINE PHOSPHATE (M+H)+ 183.0648 0.624 1014 CITRIC ACID (M+NA)+ 192.0269 1.003 311 CORTICOSTERONE (M+H)+ 346.2136 15.456 5753 CORTICOSTERONE (M+NA)+ 346.2159 15.461 5753 CORTISOL (M+H)+ 362.2104 13.879 5754 CORTISOL (M+NA)+ 362.2105 13.879 5754 CORTISONE (M+H)+ 360.1946 13.448 222786 CORTISONE (M+NA)+ 360.1958 13.446 222786 CREATINE (M+H)+ 131.0669 0.691 586 CREATININE (M+H)+ 113.0577 0.693 588 CYSTATHIONINE (M+H)+ 222.0635 0.626 439258 CYSTEIC ACID (M+H)+ 187.0159 0.634 72886 CYSTINE (M+NA)+ 240.0216 0.599 6857538 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+ 488.1039 0.661 13804 CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+ 488.1146 0.681 13804 CYTOSINE (M+NA)+ 111.0446 0.701 597 DECENOYLCARNITINE (*) (M+H)+ 313.2259 13.865 57357170 DEOXYCHOLIC ACID (2M+NA)+ 392.2913 21.621 222528 DEOXYCHOLIC ACID (M+H)+[-H2O] 392.288 21.622 222528 DEOXYCHOLIC ACID (M+NA)+ 392.2907 21.625 222528 DESMOSTEROL (M+H)+[-H2O] 384.3391 24.223 439577 DIETHYLSTILBESTROL (M+NA)+ 268.1416 18.873 448537 DIPALMITOYL-GLYCEROL (M+NA)+ 568.5068 26.283 644078 DODECENOYLCARNITINE (*) II M+ 342.2648 16.714 53481671 DUMP (M+H)+ 308.0438 0.946 65063 EICOSADIENOYLCARNITINE (*) (M+H)+ 451.3615 21.684 71464509 EICOSANOYLCARNITINE (*) (M+H)+ 455.3947 22.121 53477833 EICOSENOYLCARNITINE (*) (M+H)+ 453.3757 21.904 71464507 ELAIDIC ACID (M+H)+ 282.2591 22.908 637517 EPIBRASSINOLIDE [ISTD] (M+H)+ 480.3463 19.893 115196 EPIBRASSINOLIDE [ISTD] (M+NA)+ 480.3462 19.892 115196 ESTRONE (M+H)+ 270.1606 16.355 5870 GAMMA-LINOLENIC ACID (M+NA)+ 278.2221 22.83 5280933 GENTISURIC ACID (M+H)+ 211.046 4.29 161488 GLUCOSAMINIC ACID (M+NA)+ 195.0765 0.658 73563 GLUCOSE (M+NA)+ 180.0621 0.682 5793 GLUTATHIONE OXIDIZED (M+H)+ 612.1453 1.323 65359 GLUTATHIONE OXIDIZED (M+H2)+2 612.158 1.341 65359 GLYCEROL MYRISTATE (M+H)+[-H2O] 302.2417 22.062 79050 GLYCOCHENODEOXYCHOLIC ACID (M+H)+ 449.3119 20.365 9548796 GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] 449.3149 20.363 9548796 GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ 449.3146 20.366 9548796 GLYCOCHOLIC ACID (M+H)+ 465.3098 18.974 10140 GLYCOCHOLIC ACID (M+H)+[-H2O] 465.3098 18.857 10140 GLYCOCHOLIC ACID (M+NA)+ 465.309 18.97 10140 GUANINE (M+H)+ 151.0471 0.826 764 GUANOSINE (M+H)+ 283.0916 1.793 6802 HEXANOYLCARNITINE (*) M+ 260.187 7.029 3246939 HIPPURIC ACID (M+H)+ 179.0589 4.783 464 HIPPURIC ACID (M+NA)+ 179.0586 4.784 464 HISTAMINE (M+NA)+ 111.078 0.662 774 HOMOGENTISIC ACID (M+H)+ 168.0398 2.064 780 HOMOSERINE (M+NA)+ 119.0568 0.602 12647 HYODEOXYCHOLIC ACID (M+NA)+ 392.29 20.199 5283820 HYPOXANTHINE (M+H)+ 136.0388 1.061 790 HYPOXANTHINE (M+NA)+ 136.0379 1.047 790 INDOLE-3-ACETALDEHYDE (M+H)+ 159.0689 1.754 800 INDOLE-3-ACETIC ACID (M+H)+ 175.0637 8.41 802 INDOLE-3-ACETIC ACID (M+NA)+ 175.0634 8.407 802 INOSINE 5'-PHOSPHATE (M+H)+ 348.0469 0.951 8582 ISO-BUTYRYLCARNITINE (*) (M+H)+ 231.147 2.79 168379 ISOLEUCINE (M+H)+ 131.0947 1.481 6306 ISOLEUCINE (M+NA)+ 131.0934 1.494 6306 ISOVALERYLCARNITINE (*) (M+H)+ 245.1631 4.561 169235 KYNURENIC ACID (M+H)+ 189.043 4.894 3845 KYNURENINE (M+H)+ 208.0845 2.162 161166 KYNURENINE (M+NA)+ 208.0816 2.155 161166 L-ARGININE (M+H)+ 174.1106 0.6 6322 L-ARGININE (M+NA)+ 174.111 0.59 6322 L-HISTIDINE (M+H)+ 155.0691 0.574 6274 L-HISTIDINOL (M+H)+ 141.0899 0.452 165271 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ 206.0849 3.575 16217285 LAUROYLCARNITINE (M+H)+ 343.2728 17.683 168381 LITHOCHOLIC ACID (M+NA)+ 376.3003 22.31 9903 LYSINE (M+H)+ 146.1056 0.517 5962 LYSINE (M+NA)+ 146.1044 0.548 5962 M-HYDROXYMANDELIC ACID (M+H)+[-H2O] 168.0406 2.129 86957 METHIONINE (M+H)+ 149.0509 0.959 6137 METHYL BETA-D-GALACTOSIDE (M+NA)+ 194.08 0.661 94214 METHYL INDOLE-3-ACETATE (M+H)+ 189.0789 11.681 74706 METHYL JASMONATE (M+NA)+ 224.1404 15.978 5281929 N-ACETYL-D-TRYPTOPHAN (M+H)+ 246.101 7.97 439917 N-ACETYL-DL-METHIONINE (M+H)+ 191.0619 4.029 448580 N-ACETYL-DL-SERINE (M+H)+[-H2O] 147.0528 0.854 65249 N-ACETYL-L-ALANINE (M+NA)+ 131.0572 1.434 88064 N-ACETYL-L-LEUCINE (M+H)+ 173.1051 7.162 75619 N-ACETYL-L-PHENYLALANINE (M+NA)+ 207.0888 7.708 74839 N-ACETYLGLYCINE (M+NA)+ 117.0414 0.905 1097 N-ACETYLNEURAMINIC ACID (M+H)+ 309.102 0.705 444885 N-ACETYLSEROTONIN (M+NA)+ 218.1057 4.941 903 N-CYCLOHEXYLFORMAMIDE (M+H)+ 127.0993 7.894 13017 N-CYCLOHEXYLFORMAMIDE (M+NA)+ 127.099 7.901 13017 NAD (M+H)+ 663.1021 0.966 5893 NICOTINAMIDE (M+H)+ 122.047 1.069 936 NICOTINAMIDE MONONUCLEOTIDE (M+NA)+ 334.0532 0.945 14180 NONANOIC ACID (M+NA)+ 158.1316 13.181 8158 OCTANOYLCARNITINE (*) (M+H)+ 287.2108 11.729 123701 OCTENOYLCARNITINE (*) M+ 286.2028 9.503 71464472 OLEAMIDE (M+H)+ 281.2713 22.6 5283387 OLEAMIDE (M+NA)+ 281.2716 22.6 5283387 OLEIC ACID (M+H)+ 282.2563 22.511 445639 OLEIC ACID (M+NA)+ 282.2546 22.531 445639 OLEOYL-GLYCEROL (M+NA)+ 356.293 22.697 5319879 OLEOYLCARNITINE (*) (M+H)+ 425.3512 21.508 6441392 ORNITHINE (M+H)+ 132.0901 0.517 6262 PANTOTHENIC ACID (M+H)+ 219.1116 3.271 6613 PANTOTHENIC ACID (M+NA)+ 219.1117 3.272 6613 PHENYLALANINE (M+H)+ 165.0779 2.54 6140 PHENYLALANINE (M+NA)+ 165.0766 2.566 6140 PIMELIC ACID (M+NA)+ 160.0738 5.713 385 PIPECOLIC ACID (M+H)+ 129.0765 0.929 849 PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+ 162.1013 0.673 83228 PROGESTERONE (M+NA)+ 314.2276 19.716 5994 PROLINE (M+H)+ 115.0617 0.692 145742 PROPIONYLCARNITINE (*) (M+H)+ 217.1315 1.607 107738 PROSTAGLANDIN E2 (M+H)+ 352.2226 16.81 5280360 RIBOFLAVIN (M+H)+ 376.14 7.616 493570 SEBACIC ACID (M+NA)+ 202.1237 13.005 5192 SELENOMETHIONINE (M+H)+ 196.9967 1.264 105024 SEROTONIN (M+H)+ 176.0956 1.755 5202 SEROTONIN (M+NA)+ 176.0941 1.656 5202 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ 257.1019 0.686 439285 SPERMIDINE (M+H)+ 145.1579 0.494 1102 SPERMINE (M+H)+ 202.2162 0.494 1103 SPHINGANINE (M+H)+ 301.2956 20.759 644260 STEAROYLCARNITINE (*) (M+H)+ 427.3658 21.828 52922056 SUBERIC ACID (M+H)+[-H2O] 174.0888 8.274 10457 SUBERIC ACID (M+NA)+ 174.0907 8.273 10457 TAUROCHENODEOXYCHOLIC ACID (M+NA)+ 499.2981 20.109 387316 TAUROLITHOCHOLIC ACID (M+H)+[-H2O] 483.2929 21.764 439763 TETRADECENOYLCARNITINE (*) M+ 370.2958 18.807 22833575 THEOBROMINE (M+H)+ 180.0651 3.458 5429 THEOPHYLLINE (M+H)+ 180.0657 4.395 2153 THEOPHYLLINE (M+NA)+ 180.0652 4.416 2153 THREONINE (M+H)+[-H2O] 119.0577 0.952 6288 THYROXINE (M+H)+ 776.6867 16.259 5819 TRANS-4-HYDROXYPROLINE (M+H)+ 131.0577 0.661 5810 TRYPTOPHAN (M+H)+ 204.0877 3.575 6305 TRYPTOPHAN (M+NA)+ 204.0883 3.575 6305 TYROSINE (M+H)+ 181.0739 1.291 6057 TYROSINE (M+NA)+ 181.0737 1.292 6057 UNK_1000.589@21.979427 1000.5928 21.984 UNK_1000.6512@22.432941 1000.6529 22.432 UNK_1001.695@0.5015835 1001.6938 0.506 UNK_1010.5645@22.129944 1010.5633 22.127 UNK_1013.4813@21.56703 1013.481 21.56 UNK_1013.6993@0.5026925 1013.7007 0.508 UNK_1018.673@23.36865 1018.6731 23.365 UNK_1019.5644@23.24225 1019.5671 23.24 UNK_102.0234@15.589697 102.0237 15.595 UNK_1020.555@21.990887 1020.5626 21.981 UNK_1022.7175@23.07987 1022.7222 23.074 UNK_1024.5822@21.840921 1024.5817 21.797 UNK_1024.7859@23.596907 1024.7906 23.592 UNK_1024.7874@23.823605 1024.7856 23.82 UNK_1028.6073@22.132158 1028.6086 22.237 UNK_1029.5687@6.984089 1029.5677 6.981 UNK_1029.682@0.5012728 1029.68 0.502 UNK_103.0458@0.9535721 103.0457 0.959 UNK_103.0996@21.967606 103.0997 21.954 UNK_103.0997@22.13558 103.0997 22.065 UNK_103.0997@22.290134 103.0997 22.284 UNK_103.0997@22.652544 103.0994 22.644 UNK_103.1001@22.38667 103.1001 22.38 UNK_1032.6237@22.259678 1032.6274 22.245 UNK_1034.5798@21.966187 1034.5936 21.965 UNK_1038.6056@22.393171 1038.6135 22.389 UNK_1039.6636@19.89586 1039.6646 19.892 UNK_1042.6324@22.65483 1042.6351 22.649 UNK_1044.606@22.251228 1044.6075 22.246 UNK_1046.5916@22.2588 1046.5956 22.247 UNK_1048.5863@22.258358 1048.586 22.236 UNK_1050.5906@22.26252 1050.5905 22.241 UNK_1052.6088@22.12987 1052.6093 22.133 UNK_1054.4084@20.212091 1054.4065 20.211 UNK_1054.6216@22.288069 1054.6208 22.259 UNK_1058.5664@21.98361 1058.5643 22.006 UNK_1058.5771@22.113749 1058.5806 22.062 UNK_1059.6014@23.343088 1059.5995 23.337 UNK_1060.3861@8.517441 1060.3887 8.518 UNK_1061.612@23.581371 1061.6051 23.577 UNK_1062.6014@21.97704 1062.5994 22.009 UNK_1062.7063@23.359789 1062.699 23.356 UNK_1066.5862@22.13916 1066.5911 22.14 UNK_1068.5862@22.132778 1068.586 22.129 UNK_1072.5988@22.284756 1072.6068 22.281 UNK_1074.58@22.127655 1074.5819 22.123 UNK_1075.0372@9.417588 1075.0367 9.415 UNK_1075.5435@9.417684 1075.5428 9.414 UNK_1076.3726@8.517369 1076.3723 8.517 UNK_1076.6127@22.081501 1076.6108 22.063 UNK_1080.374@8.5167265 1080.3726 8.515 UNK_1080.5907@21.966507 1080.5864 21.963 UNK_1080.6082@22.082644 1080.6038 22.065 UNK_1080.6456@22.384525 1080.6309 22.309 UNK_1084.6388@22.386843 1084.643 22.38 UNK_1084.6768@22.656403 1084.6772 22.652 UNK_1085.7136@0.5056366 1085.7194 0.508 UNK_1086.6785@22.559586 1086.6814 22.651 UNK_1088.6942@22.654743 1088.6998 22.649 UNK_1092.6031@22.0815 1092.6074 22.072 UNK_1094.5822@22.083914 1094.5804 22.075 UNK_1096.5865@22.083412 1096.587 22.074 UNK_1096.6212@22.384027 1096.6205 22.38 UNK_1098.3239@3.5700078 1098.3267 3.571 UNK_1098.585@22.028194 1098.5857 22.067 UNK_1098.6158@22.38383 1098.6154 22.38 UNK_110.1094@18.17794 110.1093 18.176 UNK_110.1096@21.71374 110.1096 21.71 UNK_1100.6165@22.38491 1100.6177 22.343 UNK_1100.6543@22.655436 1100.6746 22.653 UNK_1102.6475@22.6547 1102.6486 22.652 UNK_1104.6388@22.298632 1104.6407 22.315 UNK_1104.6451@22.654697 1104.6467 22.653 UNK_1106.579@22.115387 1106.5826 22.111 UNK_1106.6511@22.652401 1106.6526 22.646 UNK_1106.7336@23.350788 1106.7333 23.347 UNK_1107.555@10.006241 1107.554 10.007 UNK_111.0@0.49771443 111 0.503 UNK_1112.5681@22.281029 1112.5641 22.262 UNK_1114.3187@8.529233 1114.3191 8.546 UNK_1114.5753@22.083786 1114.5756 22.063 UNK_1116.5825@22.090075 1116.5826 22.084 UNK_1118.5719@19.900297 1118.5684 19.897 UNK_1118.5753@21.963747 1118.573 21.962 UNK_1118.5826@22.093077 1118.5815 22.094 UNK_1120.597@21.963675 1120.602 21.962 UNK_1122.5507@21.97518 1122.5507 21.971 UNK_1124.6086@21.976038 1124.6055 21.972 UNK_1124.6158@22.09972 1124.6167 22.036 UNK_1128.6392@22.307434 1128.641 22.305 UNK_113.0384@0.6314288 113.0382 0.632 UNK_113.0843@4.245951 113.0841 4.246 UNK_113.0843@4.454883 113.0843 4.454 UNK_113.1212@6.3274245 113.1212 6.327 UNK_1130.6614@22.442009 1130.6497 22.418 UNK_1131.6545@0.50525016 1131.6526 0.506 UNK_114.1041@14.640891 114.1041 14.646 UNK_1142.5701@21.97818 1142.5657 21.985 UNK_1142.5834@22.100431 1142.5863 22.1 UNK_1144.6025@21.953314 1144.608 21.947 UNK_1148.6074@22.103363 1148.6074 22.102 UNK_115.0491@1.8215408 115.0483 1.831 UNK_1151.6016@7.378101 1151.6013 7.375 UNK_1152.1003@7.3771954 1152.0999 7.376 UNK_1164.5919@22.384314 1164.5918 22.357 UNK_1168.6031@21.970264 1168.5963 21.964 UNK_1169.6226@9.975815 1169.6202 9.98 UNK_117.0754@0.6845003 117.0769 0.679 UNK_1172.8688@23.820248 1172.8673 23.819 UNK_118.0186@9.337965 118.0183 9.332 UNK_1186.4747@21.531399 1186.4755 21.538 UNK_1186.48@23.238317 1186.4799 23.233 UNK_119.0408@2.4645054 119.0413 2.477 UNK_1194.508@23.236305 1194.5048 23.232 UNK_120.0436@5.2985415 120.0434 5.299 UNK_120.0929@16.132984 120.0932 16.126 UNK_120.093@16.419184 120.0933 16.42 UNK_1202.4521@23.23546 1202.4521 23.229 UNK_121.0499@2.615314 121.0501 2.623 UNK_1212.503@21.531755 1212.5013 21.534 UNK_1230.5292@21.962626 1230.5308 21.96 UNK_1235.6046@6.6425724 1235.6077 6.641 UNK_124.9791@22.191608 124.9791 22.212 UNK_124.9792@0.4930001 124.979 0.492 UNK_124.9792@22.332893 124.9794 22.317 UNK_1245.6388@0.5075557 1245.644 0.51 UNK_1254.7311@19.890644 1254.7311 19.89 UNK_126.9786@0.4918183 126.9785 0.495 UNK_1264.4835@3.5710144 1264.481 3.573 UNK_127.0093@0.49416676 127.0091 0.494 UNK_128.1201@17.991543 128.1193 17.992 UNK_1282.851@23.321133 1282.836 23.316 UNK_1284.9613@23.810171 1284.9567 23.811 UNK_1286.941@23.342377 1286.9368 23.337 UNK_1288.9532@23.615913 1288.9539 23.608 UNK_129.0221@0.6153079 129.0228 0.611 UNK_129.0578@8.408865 129.0577 8.406 UNK_129.0727@0.6860003 129.0744 0.678 UNK_129.9592@0.4916668 129.9594 0.489 UNK_130.0085@2.4636207 130.0089 2.479 UNK_1302.5262@23.242435 1302.5281 23.235 UNK_1306.9441@23.339102 1306.9391 23.337 UNK_131.0491@0.645231 131.0491 0.644 UNK_1316.981@23.696716 1316.977 23.683 UNK_132.0239@0.95292914 132.0242 0.96 UNK_132.0722@3.567104 132.0725 3.574 UNK_1326.8696@23.316542 1326.882 23.313 UNK_1328.8616@22.14057 1328.8551 22.135 UNK_1330.4028@3.567905 1330.4065 3.571 UNK_1334.9355@23.738445 1334.935 23.736 UNK_134.094@3.7634196 134.0939 3.768 UNK_134.1093@19.124952 134.1091 19.123 UNK_134.1094@18.867247 134.1092 18.865 UNK_135.0662@4.455811 135.0662 4.455 UNK_135.0663@4.244165 135.0661 4.243 UNK_135.0677@1.2842867 135.0679 1.292 UNK_1350.8304@22.13688 1350.8367 22.132 UNK_137.0271@0.651917 137.0257 0.649 UNK_1379.7395@11.13675 1379.7389 11.133 UNK_138.0543@5.298613 138.0541 5.297 UNK_138.1044@6.6249337 138.1043 6.628 UNK_1387.0156@23.608086 1387.0159 23.617 UNK_1401.7198@11.13547 1401.721 11.134 UNK_1406.534@8.517826 1406.5339 8.517 UNK_1413.039@23.688864 1413.039 23.675 UNK_1415.0476@23.806383 1415.0476 23.724 UNK_1419.04@23.781326 1419.0374 23.78 UNK_1422.5146@8.516441 1422.5146 8.515 UNK_1427.0742@24.023947 1427.0646 24.011 UNK_1428.9865@23.607637 1429.008 23.604 UNK_143.094@0.89590955 143.0937 0.911 UNK_1431.0037@23.636229 1431.0059 23.606 UNK_1433.0306@23.799782 1433.0297 23.797 UNK_1438.4917@8.516797 1438.4912 8.518 UNK_1439.0481@23.706347 1439.0496 23.701 UNK_144.0262@1.8285025 144.0255 1.848 UNK_1443.0781@24.023249 1443.0762 24.005 UNK_1444.4886@8.517013 1444.4877 8.512 UNK_1444.9824@23.607704 1444.9985 23.602 UNK_145.1101@3.1457803 145.1099 3.148 UNK_145.1103@3.4357984 145.1101 3.437 UNK_1455.0073@23.610382 1455.0095 23.634 UNK_146.0502@4.369453 146.0504 4.368 UNK_146.0508@7.6407576 146.0509 7.64 UNK_146.0522@3.5690918 146.0522 3.577 UNK_147.0887@0.89814335 147.0883 0.901 UNK_1474.0717@24.225613 1474.0715 24.223 UNK_1478.9716@19.894146 1478.9681 19.892 UNK_148.0157@20.680838 148.0154 20.68 UNK_148.0157@20.84348 148.0155 20.842 UNK_148.0157@23.082369 148.0155 23.077 UNK_148.0182@2.4637198 148.0187 2.481 UNK_148.0522@18.195166 148.0527 18.189 UNK_148.0884@16.414303 148.0881 16.415 UNK_1481.8965@22.272705 1481.8949 22.274 UNK_1484.0583@24.102297 1484.0623 24.101 UNK_1484.9913@19.894861 1484.9885 19.893 UNK_1490.9822@23.608866 1490.9816 23.604 UNK_1495.0345@24.643642 1495.0438 24.615 UNK_1495.1082@24.170593 1495.0992 24.168 UNK_1496.0566@24.069626 1496.0585 24.031 UNK_1496.9467@23.620508 1496.9521 23.606 UNK_1497.0094@23.707771 1496.993 23.701 UNK_1498.0762@24.202105 1498.0815 24.199 UNK_150.0285@0.497643 150.0285 0.503 UNK_1502.0612@24.072811 1502.0582 24.084 UNK_1502.4482@8.515989 1502.45 8.518 UNK_1505.8906@22.134853 1505.8907 22.13 UNK_1506.9701@23.611183 1506.9805 23.608 UNK_1507.9418@22.253801 1507.9382 22.268 UNK_1508.0544@24.074697 1508.0555 24.07 UNK_151.0634@23.24578 151.0636 23.238 UNK_152.0259@0.49778584 152.0259 0.504 UNK_152.1195@18.866793 152.1196 18.865 UNK_152.1199@22.870874 152.1194 22.872 UNK_152.1201@19.124659 152.1198 19.123 UNK_1520.0574@23.985718 1520.0587 24.025 UNK_1522.07@24.137579 1522.0656 24.124 UNK_1523.9456@22.257416 1523.944 22.25 UNK_1524.0797@24.217552 1524.0651 24.126 UNK_1525.0448@24.116945 1525.0465 24.115 UNK_1525.0875@25.154102 1525.0933 25.148 UNK_1526.0697@23.982296 1526.0623 24.088 UNK_1529.9517@22.257555 1529.949 22.245 UNK_153.044@1.7100022 153.0433 1.713 UNK_1535.8538@22.116226 1535.8627 22.1 UNK_1536.079@24.226826 1536.0841 24.292 UNK_1539.9172@22.256128 1539.923 22.248 UNK_154.1352@18.756458 154.1352 18.758 UNK_1541.9176@22.257603 1541.9218 22.252 UNK_1544.1198@25.145077 1544.118 25.14 UNK_1544.9828@22.384665 1544.9703 22.376 UNK_1546.966@19.895432 1546.9668 19.89 UNK_1547.9346@22.13209 1547.9344 22.129 UNK_1548.0878@24.162016 1548.0791 24.173 UNK_1549.9528@22.277063 1549.9495 22.222 UNK_155.0069@0.49672738 155.0072 0.5 UNK_1551.0214@22.671064 1551.0189 22.672 UNK_1551.0566@24.206318 1551.058 24.203 UNK_1551.0881@24.684793 1551.1074 24.641 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308.2323 22.334 UNK_308.2325@22.709135 308.2321 22.707 UNK_309.1946@10.754356 309.1947 10.755 UNK_309.1948@10.884313 309.1949 10.883 UNK_309.1949@11.537656 309.1949 11.537 UNK_309.195@11.386292 309.1953 11.396 UNK_309.195@11.847386 309.1944 11.849 UNK_309.3033@22.91649 309.3032 22.913 UNK_310.1173@2.7898643 310.117 2.791 UNK_310.1217@8.517299 310.1217 8.514 UNK_310.1223@7.4141054 310.1223 7.413 UNK_310.1227@6.6043897 310.1227 6.603 UNK_310.145@24.21871 310.1452 24.215 UNK_310.1471@22.569017 310.1469 22.566 UNK_310.1474@19.12438 310.1474 19.125 UNK_310.1485@18.867603 310.1477 18.867 UNK_310.1558@22.653513 310.1521 22.628 UNK_310.1795@17.323196 310.1794 17.321 UNK_310.1864@21.36876 310.1872 21.377 UNK_310.2279@22.196365 310.2339 22.193 UNK_310.249@22.342371 310.2486 22.343 UNK_311.1242@3.6172397 311.1238 3.626 UNK_311.1531@19.561975 311.153 19.56 UNK_311.1532@19.371595 311.153 19.369 UNK_311.2079@10.78595 311.21 10.788 UNK_311.2104@12.574242 311.2104 12.574 UNK_311.2104@13.174012 311.2102 13.172 UNK_311.2106@12.240041 311.2105 12.239 UNK_311.355@21.126842 311.356 21.121 UNK_311.914@0.5045716 311.9142 0.509 UNK_312.0335@0.98810065 312.0326 1.003 UNK_312.0972@18.735985 312.0986 18.734 UNK_312.1375@20.759886 312.1376 20.757 UNK_312.1433@22.570702 312.1429 22.567 UNK_312.1481@8.444826 312.1472 8.464 UNK_312.163@22.444834 312.1628 22.44 UNK_312.2281@21.472736 312.2283 21.487 UNK_312.2618@22.591455 312.2626 22.575 UNK_313.2255@13.037563 313.2254 13.035 UNK_313.2265@13.996359 313.2264 13.996 UNK_313.226@14.443705 313.2258 14.442 UNK_313.9135@0.5040001 313.9137 0.507 UNK_314.0699@0.7146157 314.0721 0.708 UNK_314.0903@17.385378 314.0908 17.383 UNK_314.1273@14.070368 314.1271 14.07 UNK_314.1274@23.238749 314.1275 23.234 UNK_314.1286@14.481212 314.1279 14.483 UNK_314.1834@21.522823 314.1822 21.52 UNK_314.1856@21.674765 314.1847 21.671 UNK_315.1119@15.176553 315.1113 15.177 UNK_315.2005@4.3772216 315.2017 4.374 UNK_315.2135@5.2304683 315.2132 5.227 UNK_315.2415@14.953174 315.241 14.952 UNK_315.2424@15.362556 315.2425 15.36 UNK_315.9045@0.5084547 315.903 0.507 UNK_316.1095@4.703806 316.1086 4.697 UNK_316.1117@20.682028 316.1126 20.677 UNK_316.1122@20.843933 316.1124 20.839 UNK_316.1317@6.358606 316.1317 6.363 UNK_316.1403@23.240171 316.1405 23.235 UNK_316.1424@19.839989 316.1422 19.835 UNK_316.1655@17.691841 316.1654 17.688 UNK_316.1723@22.503782 316.1723 22.499 UNK_316.2006@21.508383 316.2006 21.597 UNK_316.2012@21.62305 316.2014 21.519 UNK_316.2032@22.212185 316.2025 22.212 UNK_316.2393@22.915989 316.2365 22.913 UNK_317.0597@9.939389 317.0596 9.939 UNK_317.0726@15.109041 317.0736 15.106 UNK_317.1125@1.0564293 317.1126 1.059 UNK_317.1316@20.267532 317.1315 20.266 UNK_317.1742@8.455153 317.1745 8.452 UNK_317.2041@22.362413 317.2049 22.347 UNK_318.1093@14.080055 318.1088 14.077 UNK_318.1146@7.0669584 318.1145 7.068 UNK_318.159@6.154827 318.1584 6.155 UNK_318.1874@24.144388 318.1873 24.137 UNK_318.1881@22.715496 318.1878 22.714 UNK_318.1897@23.894192 318.1901 23.891 UNK_318.2182@22.445486 318.2192 22.442 UNK_318.2499@23.42993 318.2529 23.425 UNK_318.2568@23.112349 318.2568 23.108 UNK_319.0761@15.728964 319.0765 15.727 UNK_319.1255@8.519089 319.1249 8.515 UNK_319.2193@22.608389 319.2185 22.601 UNK_319.9389@0.62108356 319.9385 0.618 UNK_320.0557@4.306166 320.0558 4.297 UNK_320.0557@4.706601 320.0558 4.702 UNK_320.1146@23.239462 320.1148 23.238 UNK_320.1149@21.470247 320.1149 21.475 UNK_320.1249@14.732963 320.1248 14.734 UNK_320.1619@18.255804 320.162 18.252 UNK_320.1769@0.6515003 320.1797 0.647 UNK_320.1795@21.76733 320.1798 21.763 UNK_320.2039@22.917494 320.2039 22.912 UNK_320.2058@22.938652 320.205 22.938 UNK_320.2333@22.040558 320.2333 22.039 UNK_320.2334@22.328653 320.2331 22.301 UNK_320.233@21.800814 320.2331 21.804 UNK_320.2719@23.298697 320.2716 23.295 UNK_321.1268@16.627756 321.1263 16.629 UNK_321.1616@21.178417 321.1612 21.171 UNK_321.1635@20.88392 321.1631 20.882 UNK_322.2194@23.179514 322.2192 23.176 UNK_322.2483@22.168745 322.2478 22.166 UNK_323.141@22.044867 323.1415 22.043 UNK_323.1556@22.444359 323.1559 22.441 UNK_323.319@23.249788 323.3188 23.247 UNK_324.1707@21.713818 324.1701 21.71 UNK_324.1986@22.917707 324.1995 22.91 UNK_324.2058@22.714493 324.2061 22.71 UNK_325.1594@22.445047 325.1599 22.441 UNK_326.116@6.361334 326.1162 6.359 UNK_326.1451@20.883114 326.1453 20.879 UNK_326.1455@21.17976 326.145 21.172 UNK_326.146@21.766613 326.1466 21.763 UNK_326.2212@22.915134 326.2216 22.911 UNK_327.1529@22.446869 327.1507 22.443 UNK_327.2237@18.97653 327.2236 18.975 UNK_327.2415@15.483147 327.2413 15.481 UNK_327.2419@15.344342 327.242 15.344 UNK_327.8915@0.5015001 327.8917 0.506 UNK_328.0883@0.86038506 328.0877 0.864 UNK_328.1074@16.947805 328.1074 16.947 UNK_328.1321@6.6052194 328.1325 6.606 UNK_328.1322@7.414677 328.1324 7.413 UNK_328.1324@8.517084 328.1323 8.515 UNK_328.1434@23.239248 328.1439 23.235 UNK_328.2356@23.181257 328.2342 23.175 UNK_328.2385@22.342552 328.2398 22.343 UNK_328.2391@22.679913 328.2393 22.677 UNK_329.0962@18.736502 329.0956 18.732 UNK_329.1585@22.712969 329.1592 22.707 UNK_329.1597@4.9884844 329.1593 4.997 UNK_329.2208@10.062726 329.2203 10.062 UNK_329.2389@19.817207 329.239 19.834 UNK_329.2389@22.47345 329.2377 22.475 UNK_329.2395@19.948376 329.2392 19.946 UNK_329.2563@16.779161 329.2563 16.773 UNK_329.2571@16.376709 329.2571 16.385 UNK_329.8901@0.5005001 329.8902 0.504 UNK_330.0454@0.7409094 330.0466 0.704 UNK_330.1473@8.928178 330.1473 8.927 UNK_330.1816@19.386732 330.1818 19.385 UNK_330.1818@19.630722 330.182 19.628 UNK_330.1865@22.948217 330.1849 22.942 UNK_330.1984@14.531002 330.1978 14.528 UNK_330.2181@22.017727 330.217 22.015 UNK_330.2196@14.013977 330.2188 14.014 UNK_330.2542@21.404173 330.2534 21.403 UNK_330.2563@22.8444 330.2559 22.794 UNK_331.2366@13.0058775 331.2363 13.002 UNK_331.2367@12.536986 331.2369 12.536 UNK_331.2554@20.84249 331.2558 20.841 UNK_331.2729@21.713099 331.2728 21.707 UNK_331.2863@22.918562 331.2861 22.915 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UNK_334.2338@22.5673 334.2372 22.568 UNK_334.2436@22.707764 334.2445 22.696 UNK_334.2481@22.332438 334.2477 22.329 UNK_335.2077@13.998546 335.2076 13.994 UNK_335.2144@22.835398 335.2144 22.829 UNK_336.046@0.6841821 336.0519 0.662 UNK_336.0981@18.195166 336.0982 18.194 UNK_336.1355@21.303785 336.1342 21.296 UNK_336.1404@22.50421 336.1408 22.499 UNK_336.1606@24.14102 336.1601 24.133 UNK_336.1607@25.114922 336.1609 25.099 UNK_336.1611@24.694475 336.1605 24.691 UNK_336.1613@22.714924 336.1611 22.712 UNK_336.1617@23.893703 336.1608 23.893 UNK_336.1625@23.979471 336.1631 23.952 UNK_336.1837@22.920662 336.1828 22.911 UNK_336.1972@22.03947 336.198 22.038 UNK_336.2309@22.035439 336.2317 22.036 UNK_336.2327@22.483683 336.2284 22.489 UNK_336.2344@23.83368 336.2339 23.83 UNK_336.255@22.741383 336.2556 22.733 UNK_336.2573@22.306717 336.2563 22.337 UNK_336.262@22.560303 336.2618 22.557 UNK_337.1369@8.518773 337.1372 8.515 UNK_337.2235@15.361844 337.2237 15.358 UNK_337.2269@13.896999 337.2264 13.893 UNK_337.3356@23.245752 337.3354 23.24 UNK_338.1065@18.736158 338.1064 18.737 UNK_338.1524@21.766897 338.1527 21.763 UNK_338.1565@22.71521 338.1563 22.712 UNK_338.1756@24.830256 338.1752 24.839 UNK_338.1757@25.630041 338.1761 25.625 UNK_338.1781@22.919708 338.1777 22.914 UNK_338.1791@22.57375 338.18 22.564 UNK_338.2154@22.168814 338.2156 22.165 UNK_338.2437@21.19501 338.2432 21.192 UNK_339.2408@15.3387575 339.241 15.335 UNK_339.2416@15.849307 339.2416 15.846 UNK_339.2528@7.691155 339.2525 7.692 UNK_339.3512@23.573906 339.352 23.573 UNK_340.1053@11.09668 340.1055 11.095 UNK_340.1491@21.766907 340.1494 21.764 UNK_340.1583@22.714994 340.1592 22.711 UNK_340.1718@24.83389 340.1717 24.839 UNK_340.1733@25.629827 340.1733 25.626 UNK_340.1735@22.494223 340.1739 22.492 UNK_340.1744@22.920424 340.1744 22.917 UNK_340.1941@22.833391 340.1936 22.83 UNK_340.2381@23.114202 340.238 23.111 UNK_340.2586@21.94067 340.2579 21.949 UNK_340.2589@22.31522 340.2581 22.311 UNK_341.2569@16.61967 341.2568 16.619 UNK_341.2572@17.312265 341.2571 17.31 UNK_341.2574@16.787663 341.2575 16.787 UNK_341.2574@17.115726 341.2576 17.114 UNK_342.0925@3.4553487 342.0926 3.464 UNK_342.1104@20.324438 342.1087 20.322 UNK_342.1458@16.702574 342.1459 16.698 UNK_342.1477@8.517512 342.1476 8.516 UNK_342.1533@0.9740006 342.1524 0.975 UNK_342.1837@22.210957 342.1829 22.208 UNK_342.1882@22.689413 342.1882 22.685 UNK_342.2163@21.76126 342.2177 21.76 UNK_342.2558@20.583323 342.256 20.579 UNK_342.2566@23.073046 342.2564 23.069 UNK_342.2886@19.07873 342.2883 19.076 UNK_342.3235@21.065628 342.3235 21.063 UNK_343.2734@17.993334 343.2732 17.991 UNK_343.3076@22.038895 343.3088 22.038 UNK_343.869@0.4970716 343.8694 0.493 UNK_344.127@6.3591504 344.1269 6.362 UNK_344.161@8.927535 344.1606 8.926 UNK_344.165@20.151293 344.166 20.148 UNK_344.2037@22.835606 344.2043 22.828 UNK_344.2723@23.284508 344.2718 23.278 UNK_344.2724@23.214983 344.2729 23.222 UNK_345.2495@22.91511 345.2481 22.905 UNK_346.1421@8.517084 346.1418 8.513 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23.233 UNK_994.5995@22.128878 994.6007 22.124 UNK_996.4262@23.237604 996.4314 23.234 UNK_996.5617@21.979204 996.5582 21.974 UNK_996.6182@22.102148 996.6182 22.099 UNK_996.6227@21.96258 996.6204 21.969 UNK_997.7194@0.5068335 997.7183 0.508 UNK_999.7215@0.50583345 999.7204 0.512 URIC ACID (M+H)+ 168.0279 0.982 1175 URIC ACID (M+NA)+ 168.0312 0.981 1175 URIDINE (M+H)+ 244.0697 1.332 6029 URIDINE (M+NA)+ 244.0692 1.328 6029 UROCANIC ACID (M+H)+ 138.0419 0.91 736715 URSODIOL (M+NA)+ 392.2965 21.711 31401 VALINE (M+H)+ 117.0787 0.866 6287 VALINE (M+NA)+ 117.0772 0.859 6287 XANTHURENIC ACID (M+H)+ 205.0381 4.529 5699 ZEATIN [ISTD] (M+H)+ 219.1126 3.862 449093