metabolite_name S00015194 S00015195 S00015196 S00015197 S00015198 S00015199 S00015200 S00015201 S00015202 S00015203 S00015204 S00015205 S00015206 S00015207 S00015208 S00015209 S00015210 S00015211 S00015212 S00015213 S00015214 S00015215 S00015216 S00015217 S00015218 S00015219 S00015220 S00015221 S00015222 S00015223 S00015224 S00015225 S00015226 S00015227 S00015228 S00015229 S00015230 S00015231 S00015232 S00015233 S00015234 S00015235 S00015236 S00015237 S00015238 S00015239 S00015240 S00015241 S00015242 S00015243 S00015244 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 11311 12148 10727 6199 2728 22132 10178 23299 38133 39274 9462 33114 18546 23443 13566 4795 23116 55036 8678 71218 25876 57120 11872 29209 37710 30751 13506 9927 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 1107 1558 1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- 9802 11164 9703 1920 9079 11125 5710 11132 1555 27743 3688 5862 3429 7878 8305 1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- 2491 61080 12459 21449 16492 12966 4652 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- 2581 1670 3734 1885 4068 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 4013 3887 2373 2188 1309 1797 2039 11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 5828 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 3045 1989 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 5302 13496 1328 1908 1305 4345 1612 5229 1328 3465 1755 1261 7695 1824 8360 15316 2204 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 846406 12262 26561 355108 987824 21553 31224 64313 38303 132024 25103 72847 60643 101346 110097 17353 300987 20593 98951 142604 65502 42330 198370 17866 371957 38432 21070 37006 88295 38448 136144 37598 36016 20190 133235 45246 64520 84643 118192 573284 142216 117273 34130 25284 9840 301041 949397 23714 179463 77061 39466 17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- 2416 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 44093 5720 5739 22472 35703 5515 2323 2133 9105 5631 16066 5265 6734 8723 2907 9412 3269 5295 7504 39931 8996 3858 2663 16481 2968 8786 4545 5475 16174 3822 2885 5690 3839 18234 20709 10590 6367 48386 21661 7312 29364 3059 7989 6186 33058 33797 7834 17558 12694 13109 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1); (2M-H)- 1077 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 81798 70161 16696 107591 108535 58709 21556 8410 32200 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- 181364 27537 19895 19844 25860 14617 77895 91978 29000 17662 18251 139473 2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- 4784 5100 25819 19806 21563 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 12194 293566 44592 30025 86948 3527 35756 21615 41349 21366 32461 109503 91098 61772 166569 111595 17017 38060 209964 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- 81547 201700 38157 30036 34291 63058 17201 21634 9224 27012 2752 2775 22143 125319 1563 81661 51484 16642 93400 84884 139755 36979 43651 18604 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 38720 68798 82818 62050 36215 2138 18104 36648 55624 4168 21675 9112 2103 1073 9312 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 14925 6562 14207 15507 19673 20401 15777 27552 14181 6996 15110 4736 120522 4902 16481 24080 22401 94670 6586 27435 23285 19340 33617 21003 52061 22804 18468 19481 49677 130669 32566 129680 15143 63963 21698 54440 51602 2462 29461 21452 12373 16919 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 2944 5559 17568 11457 1924 12066 19938 1429 7209 6698 20332 9641 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 4479 17035 12338 6739 6111 5812 7116 10871 12920 12079 8097 10803 21502 11299 9427 14052 5757 12871 8244 8485 15301 9204 70518 9389 16622 6092 7646 16246 7109 5295 8454 12524 9752 7643 8109 10586 12222 10335 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 6380 9745 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- 6424 14197 6683 6672 20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 4887 3'-CMP (CAS# 63-37-6); (M-H)- 1657 1344 9293 7174 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H)- 25969 1599 8650 13700 16907 1116 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 17706 17375 15384 27611 32350 42821 40618 165768 21172 37280 82724 511349 130798 54405 25367 83467 114343 162044 380254 29909 91996 46244 347767 13411 386119 452664 105411 82267 79216 49676 86729 151341 1911 2837 60811 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 4397 10721 17086 15942 45465 154854 96273 103920 1242 23909 20901 1095 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- 1283 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 9517 34916 15204 4187 77381 11456 24928 9094 41477 12072 8102 18147 155383 17153 24513 20122 45594 14656 42875 24047 34831 20646 45727 49526 47655 18072 33164 15542 10503 25535 48473 78665 12973 8985 11326 7248 13284 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)- 1512 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 3557 3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M-H)- 8749 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 4373 17068 12316 6739 6182 5813 7071 10903 12824 12008 8201 11000 21420 11456 9427 14153 5765 12875 8140 8453 15210 8145 70469 9430 16559 5983 7630 16353 8292 5355 8454 11048 9752 7836 8109 10546 12084 10222 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 3557 4739 2083 5572 9506 2560 4147 3195 3519 3317 7261 7596 3601 10946 4135 4954 5817 7164 7198 15049 5445 5541 19395 3489 10334 4169 4455 6470 7333 7034 2215 1803 7478 4079 6143 4489 3951 5448 4016 5523 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- 17527 12727 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 3412 3277 1053 5063 2139 2119 4844 1347 1327 5455 1457 2225 1465 1135 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- 1660 5561 80561 6721 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- 10692 4716 15581 30734 5712 3673 12088 13327 48529 16382 9511 20608 9606 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 2125503 4-COUMARATE (CAS# 501-98-4); (M-H)- 1685 6765 20399 14472 39569 17820 3827 5936 16595 12476 30347 12136 10284 17215 17646 34778 16303 45408 19592 49558 22197 17154 25803 17396 21865 50462 6101 25540 33820 19971 40724 8708 9365 6044 14542 13399 8712 2137 3277 6944 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 4852 5336 55368 40333 58872 20765 17460 39777 160105 93805 21959 16400 21761 44546 82140 35154 56062 55581 159920 94878 101967 7583 34281 24078 31231 21965 35993 32206 22550 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 2848 12986 15328 5180 3702 12537 18911 32779 39692 7135 2920 12890 4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 4087 8736 11817 3682 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 5480 27461 21520 10159 18707 21017 12538 22258 51968 30903 10507 13469 58089 42189 118821 88912 52106 19031 24584 86924 53320 76793 29969 65459 41367 75093 120224 17556 150808 66931 5772 123678 26369 65100 104685 69174 17640 6948 28710 24825 29335 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 5480 27461 21520 10159 18707 21017 12538 22258 51968 30903 10507 13469 58089 42189 118668 88912 52106 19031 24584 86924 53320 76793 29969 65459 41367 75093 120224 17556 150808 66931 5772 123678 26369 65100 104685 69174 17640 6948 28710 24825 29335 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 49501 4765 30523 34129 39090 38101 30117 191117 71109 68538 59633 81194 22767 29721 39351 31077 56414 66614 73955 87407 81404 63497 82923 64733 48334 65993 73868 65542 41490 43974 40525 35431 46018 28354 62187 2064 5562 60939 58082 18626 4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 1205 10859 1912 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 14098 10302 10761 12271 9772 10089 11398 10591 31730 23348 25968 21620 13328 12276 10904 14518 21448 20714 20382 24804 18870 22695 28880 32695 16510 17346 11375 18365 18072 18928 18108 18181 51964 13372 23623 16962 17700 10628 19795 35366 12342 18421 15845 22387 13115 9574 13958 13716 21374 20219 14892 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 32429 22646 28528 215117 57377 74355 113215 47623 4828 336993 117411 100525 2336 66438 107806 108001 147454 234105 211861 152081 100080 250055 147081 146712 152718 73350 168388 215083 8337 237143 206099 18748 136105 42890 602782 164652 128928 161737 150235 130344 108717 165806 67115 161731 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 4388 19838 22983 6273 9334 37956 16866 23990 6536 15622 3959 26350 13435 9730 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 13033 15993 9083 5397 9445 4364 21618 8253 26532 24411 14375 5175 87157 9623 5467 14662 21718 22784 39404 3503 25047 14773 19818 20642 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 19212 8113 18322 14600 22643 17919 12963 6490 64136 33077 18866 83221 11290 16389 15359 10207 12823 31840 35859 36257 47853 13035 35003 2496 13345 40657 30662 62893 25832 63408 78570 11810 128316 15331 18175 60121 11306 25529 44603 37939 70417 6304 18019 25252 36898 41097 32794 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 32783 8940 45798 38504 4021 92241 32163 27131 22896 24121 25025 9939 76371 26349 15207 148847 63828 21780 46678 34194 38091 16126 28108 8062 17168 33977 36790 1842 11587 32171 13532 28963 40487 10878 11070 27187 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- 1164 2548 5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)- 4746 6551 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)- 8780 21482 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 4212 52367 9029 109564 14950 6771 19929 8178 13298 2144 39672 8417 10319 14085 3398 8436 145853 37732 94456 17352 52655 65968 5404 4580 140847 7021 26557 13745 105836 140964 11958 8560 5301 19350 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 3439 1206 1581 1276 3176 1747 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 41163 170884 193042 126025 107705 76762 240013 64563 123335 166635 57912 157921 164009 154989 296473 58390 129831 63078 305289 231903 370781 178493 42268 220780 202049 124290 92992 167579 154261 219608 199601 47145 194106 113961 80497 83849 268021 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 3557 4739 2083 5572 9506 2560 4147 3195 3519 3317 7261 7596 3601 10806 4135 4954 5817 5679 7198 15049 5445 5541 19395 3489 10334 5317 3362 6470 7333 7034 2215 1803 7478 4079 6143 4489 3951 5448 4016 5523 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)- 6031 4159 6991 2737 5104 13910 19352 17548 13038 2252 7440 3758 11283 8163 9601 12890 18532 1301 1314 4761 9880 8287 7994 5518 10356 ACETOACETATE (CAS# 541-50-4); (M-H)- 5155 6381 13543 ADENOSINE (CAS# 58-61-7); (M+CL)- 81798 70161 16696 107591 108535 58709 21556 8410 32200 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 14113 4236 6322 19761 1550 14151 1587 20614 19894 11699 40868 2351 10319 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 1489 1140 2666 6009 6779 3805 9447 5270 2558 1637 3044 6695 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 5262 17068 12316 6739 6182 5813 7071 10903 12824 12008 8201 11000 21420 11456 9427 14153 5765 12875 8140 8453 15210 8145 70445 9430 16559 5983 7630 16353 8292 5355 8454 11048 9752 7836 8136 10546 12084 10222 ADP-RIBOSE (CAS# ); (M-H)- 4074 ALLANTOIN (CAS# 97-59-6); (M-H)- 1336 39265 9649 59201 29862 14341 16567 9526 3684 8664 8155 14279 22276 28770 15799 3690 18651 6481 11536 13453 24845 31614 42158 17887 10040 9173 39151 8611 16474 5746 10340 26401 18067 14431 9530 10127 14257 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 4243 13947 18786 6954 82450 11230 24879 9935 38575 15346 5666 9649 24300 158097 23771 24349 20509 45594 16730 84179 23290 26880 31534 49837 48683 17476 33164 9933 8032 10484 20839 26321 38099 76620 6840 14040 8971 12152 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- 1970 4514 14547 2229 45829 87932 ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 45578 53939 13675 26027 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 122867 97495 74176 181054 146159 83988 105730 73137 169296 86542 101802 171163 101564 144124 115117 158557 95364 149709 87018 147116 140770 109805 130130 90441 179790 85520 120039 133418 96737 102097 165893 122743 146854 80901 137090 122539 152155 87790 147550 110190 91410 157368 78296 94027 106488 205510 143440 90506 96423 116098 140325 ARABITOL (CAS# 7643-75-6); (M+CL)- 2733 3354 8536 6756 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 1560 1773 1512 1132 1600 11431 1924 3422 3716 6856 2355 2462 2900 2086 5427 2860 4228 2679 1470 3291 3353 2878 1580 ARACHIDONATE (CAS# 506-32-1); (M-H)- 3807543 21018 35465 1536179 1434280 60889 96288 69993 366411 405590 32504 579893 66749 250690 92120 269349 1297491 580026 213975 342411 728210 63442 1184484 5094 811076 141469 111245 1140964 242252 401751 4290354 771146 291968 24977 1119302 192798 656558 219178 644546 929173 419318 1174634 646816 279212 9063 7064724 2112288 199100 802497 397147 320294 ASPARAGINE (CAS# 70-47-3); (M-H)- 17527 14131 ASPARTATE (CAS# 56-84-8); (M-H)- 89839 3922 39128 21146 16319 14069 7268 62658 23925 13960 51762 6138 60635 52721 31123 34872 41664 30771 109882 38882 34291 21165 99478 ASPIRIN (CAS# 50-78-2); (M-H)- 4107 1242 1156 AZELAIC ACID (CAS# 123-99-9); (M-H)- 46525 35982 78709 54489 84777 63032 168290 120328 398003 59792 72852 251288 49449 91526 185247 56651 67325 116489 145752 134894 639484 78434 167605 106401 121289 103454 200434 103600 84703 239697 65502 92952 457341 48463 413871 396132 76332 204559 149976 109924 93406 67135 113877 183544 125422 56953 68271 66582 81770 65952 84701 BEHENIC ACID (CAS# 112-85-6); (M-H)- 7229 1374 6910 2020 1234 BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- 4087 8736 11817 BETA-ALANINE (CAS# 107-95-9); (M-H)- 12288 12431 15729 6272 16705 3728 32939 BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 112752 17555 319209 203972 695751 399870 54110 217859 72948 460525 2605 103506 81153 293528 17696 97490 512670 263496 758692 113389 79745 250987 20856 46589 285912 72683 39118 548240 49198 30317 8017 48583 54998 11589 7116 BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] 22343 71993 37980 120916 69705 11236 41239 7079 78156 18621 18406 52788 59688 41546 128294 45525 45702 9195 6374 71063 BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 4505 189532 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 6294 202056 166526 714327 80658 6431 BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- 1545 4360 3660 6899 2278 1460 5837 2172 4269 3739 1480 1867 2565 5478 1497 BIOTIN (CAS# 58-85-5); (M-H)- 6013 4599 2503 4496 1806 11111 1644 7687 8023 4822 2944 5316 2833 2784 BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)- 1529 BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65-8); (M-H)- 12106 BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 1716 20467 3246 7363 BOC-PHE-OH (CAS# 13734-34-4); (M-H)- 1030 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 2017 1576 1261 CAFFEATE (CAS# 331-39-5); (M-H)- 18337 41065 6894 1194 2831 CARNOSINE (CAS# 305-84-0); (M-H)- 116621 16327 27926 22854 28079 3248 11324 4861 8963 8115 74052 3503 CATECHOL (CAS# 120-80-9); (M-H)- 11194 56525 5094 8844 3815 7389 19331 23516 3274 8840 95290 65771 127227 28405 81404 2645 17473 7442 2144 74088 CELLOBIOSE (CAS# 528-50-7); (M+CL)- 2942 189532 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 7199 202056 166526 714327 80658 6431 CHOLATE (CAS# 81-25-4); (2M-H)- 779100 606900 5464564 67400000 46200000 7873635 26000000 5830 4572857 69691 18900000 45740 6885555 297541 21676 29900000 45100000 6559652 13000000 5434137 83000000 38500000 43000000 86700000 11100000 15100000 334639 26300000 47500000 17300000 46062 8766530 1414200 247791 33900000 42993 3897710 93000000 42600000 15900000 5719194 3654 18900000 36400000 214050 13300000 9804762 74600000 CHOLATE (CAS# 81-25-4); (M+CL)- 97287 1175 85553 323938 3657128 2697386 417200 1377086 9035 272547 30832 937643 24349 371391 63201 16591 1712780 2863164 345516 646133 324280 7217 4317626 2443022 2578970 4295892 551291 702204 69246 1535619 3002155 851652 22820 467791 147463 62557 1948058 25060 246827 4250362 2733080 729670 318120 7059 1068595 2569300 50841 611846 497571 3901950 CHOLATE (CAS# 81-25-4); (M-H)- 4604429 80759 4179343 9754289 16900000 16200000 11100000 14600000 365350 9225207 1455852 13500000 1148051 10500000 3003183 781711 14800000 15700000 10500000 12400000 9780179 301797 18100000 48443 15400000 16000000 18700000 11800000 13100000 3121039 14300000 16400000 13400000 1146215 11100000 5923519 2747575 15200000 1145953 8825651 19600000 15800000 13300000 9905581 275772 12800000 14200000 2517352 12700000 11700000 17600000 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- 1217 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 31616 14693 6324 1965 5101 2722 25749 6834 2158 67121 2591 14196 12622 10129 2626 40243 10911 11973 69019 2068 10544 17908 2541 10842 3397 7400 43080 21045 20700 18393 33266 5852 3140 21874 12747 2484 18178 5075 24926 1339 90744 9037 4585 4791 2527 4010 CIS-ACONITATE (CAS# 585-84-2); (M-H)- 37838 4905 227587 145482 57028 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 698046 118920 101602 791526 552557 215584 146612 76499 993287 165427 276794 2654236 286448 538541 348189 598483 242359 1290882 242498 444658 758194 172216 287841 26802 879862 90766 326654 407530 127385 407094 990649 768990 962773 13649 712198 420337 483734 160148 562709 532061 189568 926441 85016 197842 158313 1245589 492114 340372 293639 200338 305037 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 625341 404540 438109 516926 465740 422659 544955 481946 943283 887657 780915 642948 519386 532544 444327 523497 708009 783966 888629 901641 731175 864338 1044536 908160 764880 767629 566321 820918 762203 655138 823754 813785 635642 578944 1149413 726123 834854 565172 701751 774332 763878 717757 908684 897384 674303 719198 778236 601458 799443 774005 489198 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 1827013 2300941 2730991 2777686 2543128 2663330 2554565 2550472 4043728 4120001 3737062 3089909 2958241 2714444 2405164 2772249 3794808 3639088 3775463 3882318 2710101 4005919 3366461 4125845 3304335 3972960 2876915 3136352 3570772 2790021 3345158 3545259 3358465 3338868 3989678 2866899 3940256 2973758 3331738 3969926 3044708 3702795 3504811 3678683 3459676 1546364 3840835 3398509 3640205 3449972 2699527 CITRAMALATE (CAS# 2306-22-1); (M-H)- 7363 17604 10702 25953 CITRATE (CAS# 77-92-9); (M-H)- 2342122 44719 109546 1127107 663130 99252 1372211 915833 266435 118713 115005 693142 76290 304570 170500 84948 375175 621651 1381948 182394 303054 92186 572233 61289 626427 582168 422832 3680239 613654 871303 862655 252462 552093 137407 868529 291204 420680 300503 362791 131926 122537 231032 599552 373149 60046 3324062 59753 55636 249690 89894 295482 CITRULLINE (CAS# 372-75-8); (M-H)- 10485 6948 11421 30506 34959 5348 CMP (CAS# 63-37-6); (M-H)- 1657 1344 9293 4774 CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 1592 CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 1747 2074 CORTISOL (CAS# 50-23-7); (M+HCOO)- 1005 CORTISONE (CAS# 53-06-5); (M+HCOO)- 3811 2750 1073 CREATINE (CAS# 57-00-1); (M-H)- 14147 5897 11653 9932 8950 7694 5638 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 46525 35982 78709 54489 84777 63032 168290 120328 398067 59792 72852 251288 49449 91410 185247 56651 67325 116489 145752 134894 639484 78434 167605 106401 121289 103454 200434 103600 84703 239697 65502 92952 457341 48463 414405 395883 76332 204559 149976 109924 93406 65058 113877 183304 125428 56953 68271 66582 81770 65952 84701 CYSTATHIONINE (CAS# 56-88-2); (M-H)- 4701 2496 8732 9946 5832 10992 18213 7142 3603 11960 1690 1438 7131 CYSTINE (CAS# 56-89-3); (M-H)- 1487 CYTIDINE (CAS# 65-46-3); (M+CL)- 1656 21401 CYTIDINE (CAS# 65-46-3); (M-H)- 15967 1025 1687 26048 32204 8993 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H)- 4141 4164 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 108541 2522 234616 91869 1026913 357010 659494 720261 218107 683963 98640 400065 135832 324564 192569 124466 585672 1337251 102607 136683 130361 189383 460745 54719 61350 176521 4195 170674 112494 109076 D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- 22240 72129 D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- 22240 72129 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- 4514 14547 2229 45829 87932 D-LYXOSE (CAS# 1114-34-7); (M+CL)- 15245 8689 4711 11263 12481 22934 17594 2132 16363 10932 24943 22338 30082 1474 3021 5313 18943 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 108541 2522 234616 91869 1026913 357010 659494 720261 218107 683963 98640 400065 135832 110931 192569 124466 585672 1337251 120713 148922 136683 130361 189383 460745 54719 61350 176521 4195 170674 112494 109076 D-LYXOSE (CAS# 1114-34-7); (M-H)- 4363 6283 21236 8141 24402 66276 58388 52506 8217 3643 7605 32151 21119 5519 3729 95226 88117 7179 8677 4529 17151 D-ORNITHINE (CAS# 348-66-3); (M-H)- 17429 39601 25330 24441 85934 D-PSICOSE (CAS# 551-68-8); (M+CL)- 235258 92437 2395973 2466197 375699 4171846 2353293 125794 429568 138688 173436 2319526 1674629 210130 1536239 687329 2843625 623547 1323211 52289 122926 42797 3957490 2187058 1171250 742261 1968467 1215153 1490240 49904 266747 1168704 1359163 3970590 601874 272755 1850762 386293 756418 858287 77814 1461999 105000 119995 132895 213518 467469 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 235258 92437 2395973 2466197 375699 4171846 2351909 125794 429568 138688 173436 2319526 1674629 210130 1536239 707614 2843625 623547 1323211 50184 122926 42797 3884263 2187058 1171250 742261 1970143 1215153 1491638 49904 228502 1168704 1359163 3980428 601874 272755 1850762 386293 756418 859504 77814 1461999 105000 119995 132895 213518 467469 DAMP (CAS# 653-63-4); (M-H)- 5372 4029 9912 9557 DECANOATE (CAS# 334-48-5); (M-H)- 2649 2042 9430 1780 2231 1848 2696 3631 2758 10131 2506 2618 2287 2228 3618 1643 1813 9067 4064 8194 DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 25111 27758 19145 13524 2276 3533 22767 14051 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 22172 109444 114503 115790 94835 61959 47703 16432 38976 129921 32600 76969 12701 38202 329344 8434 47680 23918 394701 18874 DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 2174 1320 8990 DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)- 10828 12400 6114 12899 5760 11179 49060 2973 7468 5445 14569 5759 5854 15114 DEOXYADENOSINE (CAS# 16373-93-6); (M-H)- 3559 8603 6740 10159 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 3798 40683 580787 62516 9606 44588 8887 8646 8140 643691 425493 4931 3453 1228359 716612 349358 728689 16477 11688 381438 284876 6726 16084 23933 104493 1079655 276009 24170 1834 307999 373714 1041 132328 24931 666765 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 12571 46729 11891 2465 3649 48342 40976 2852 83655 54643 31715 56902 6514 3878 37936 24898 17397 69279 31628 7524 2711 37446 21331 8182 52350 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 82929 82712 992729 3388159 1130310 240310 348395 58042 193777 46165 173748 48333 91104 66726 68995 3590333 2870031 197209 129651 107494 67028 4371729 54022 3744473 2693559 3606436 542561 312922 79652 2823479 1995825 320337 60497 218506 97768 87477 288184 68137 1504528 4124388 2357659 647119 159264 67975 2567853 2763710 136434 1674378 694467 3645836 DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 4056 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 2984 1136 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 3362 4754 1136 6583 66949 6573 287540 2876 194241 DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 1047 1895 3702 5860 2517 23036 28200 3360 4348 9021 41816 DEOXYURIDINE (CAS# 951-78-0); (M-H)- 24101 4569 8126 5630 2571 7278 4016 6882 7415 31480 28823 7016 7134 5428 43446 DETHIOBIOTIN (CAS# 533-48-2); (2M-H)- 270333 24338 22119 8617 19087 5417 4967 9108 15138 3132 10196 13701 34497 21324 2542 46781 57308 20967 40293 10316 84616 3237 34072 35566 21685 45431 11396 549670 16083 4788 DGDP (CAS# 653-63-4); (M-H)- 5372 4029 9912 9557 DGMP (CAS# 902-04-5); (M-H)- 1489 1140 2666 6009 5547 3805 9447 2558 3044 6695 DIACETYL (CAS# 431-03-8); (M+HCOO)- 5513 3917 6618 13254 4030 4506 12623 3580 8273 15683 7632 9742 16276 1349 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)- 26983 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- 1628 DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 1195870 435912 358721 27974 17211 81314 65244 147804 60020 25443 54974 282805 186641 51392 91166 168363 241133 230437 33644 30740 284689 55336 92342 1895323 251126 100143 246415 39194 107369 45071 114739 244723 108112 386694 179549 79550 2410918 411382 59987 173172 89176 82325 DUMP (CAS# 964-26-1); (M-H)- 1367 EDTA (CAS# 60-00-4); (M-H)- 3843 1063 1133 1690 1077 4910 4955 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 698046 118920 101602 791526 552557 215584 146612 76499 993287 165427 276794 2654236 286448 538541 348189 598483 242359 1290882 242498 444658 758194 172216 287841 26802 879862 90766 326654 407530 127385 407094 990649 768990 962773 13649 712198 420337 483734 160148 562709 532061 189568 926441 85016 197842 158313 1245589 492114 340372 293639 200338 305037 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 157766 106631 148770 152572 166313 138099 162103 154810 401282 406813 324289 397021 166442 161448 160520 159236 299247 369686 360578 397889 401856 413573 576626 459257 316954 371850 332144 367402 365912 297683 304578 367262 351802 236998 567611 328277 339113 349549 349373 331451 354112 326543 338288 345904 280082 278224 239372 303520 292957 221055 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 3599321 2685448 3674862 3298936 3326389 3172448 3434239 3380650 7847341 8064935 6844010 7840205 3937191 3535154 3638717 3566943 6584025 7246543 7532262 7606791 7756463 8187952 9287790 8888799 6224786 7668279 6141468 6840016 7434319 6424672 5875145 7020863 7073302 5464962 10100000 6861074 6903038 6952371 7190800 7160553 6859098 6619413 6997163 7211034 6035642 5605758 6987141 5494601 6379985 6023698 4223830 ERUCIC ACID (CAS# 112-86-7); (M-H)- 1464 1257 3109 3273 6646 1730 1674 1372 3097 17798 1442 1710 2850 2316 1360 2811 5106 6514 1302 3597 2460 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 1823 3077 3612 7220 4150 5655 5120 8074 2512 5978 11345 7531 6319 4986 6729 1001 7641 6463 16379 12035 9849 15236 13287 8653 1259 7831 5972 3201 5758 2309 FERULATE (CAS# 1135-24-6); (M-H)- 24492 36941 59658 48520 116399 41667 55333 60488 25193 77058 55279 70438 311705 112166 133733 85610 23733 27140 45108 24410 38806 56439 FOLIC ACID (CAS# 59-30-3); (M-H)- 1172 1352 FRUCTOSE (CAS# 57-48-7); (M+CL)- 235258 92437 2395973 2466197 375699 4171846 2353293 125794 429568 138688 173436 2319526 1674629 210130 1536239 707614 2843625 623547 1323211 52289 122926 42797 3884263 2187058 1171250 742261 1970143 1215153 1491027 49904 266747 1168704 1359163 3980428 601874 272755 1850762 386293 756418 858287 77814 1461999 105000 119995 132895 213518 467469 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 1019 4189 FUMARATE (CAS# 110-17-8); (M-H)- 165356 9689 36704 42604 77715 35730 15292 36650 63017 15395 70195 87033 18437 62130 113187 66197 38331 GALACTARATE (CAS# 526-99-8); (M-H)- 2480 4036 6604 4874 8282 38448 GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)- 436551 GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 2850 71436 7013 86747 18669 77990 39918 4735 1393 42553 24714 28046 51747 67920 128032 88340 102549 44222 115375 1337 50656 18761 69449 86592 185607 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 5513 3917 6618 13254 4030 12623 3580 6027 15683 7695 9742 16276 1349 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 1637 2910 1390 1569 1661 1424 2385 2809 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 122867 97495 74176 181054 146159 83988 105730 73137 169296 86542 101870 171163 101564 144124 115117 158557 95364 149709 87018 147116 140770 109867 130130 89447 181408 85520 120039 132138 96797 102097 166041 122743 146854 80901 137090 122387 152155 87790 147550 110120 91410 157368 78320 94027 106488 205510 143440 90506 96423 116098 140325 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 2257 2916 3027 3064 2624 13389 12645 9539 13908 2536 3385 2848 7787 8541 14351 13225 14046 13690 25620 14581 11043 12519 11302 17605 13444 9939 8345 10418 12124 6561 25014 10318 11547 11234 11838 12938 8363 11651 12388 6890 11218 5840 8290 7822 3020 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 10644 7523 8778 9952 9224 7973 10540 9082 24201 24497 21349 20421 11201 9829 10676 11807 15980 19603 23123 19991 22765 30846 26292 20193 20428 12564 22229 23214 17502 19740 14866 29584 20263 20378 14356 17947 19896 12988 20294 18733 18434 15274 13526 14238 17112 17217 9864 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 336590 236901 316058 306974 298207 283088 302411 283442 676191 656024 592944 645860 340287 319524 318999 328903 504596 560410 638094 660498 681694 669888 834060 712664 569443 636379 513887 619014 637114 558754 520502 586108 589922 465368 842530 593987 604030 605188 634580 616749 597276 555379 583285 613354 516497 568197 583966 455185 535667 507466 324786 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 2342122 42031 16337 1127107 68309 29622 1372211 39758 337124 118651 115005 692516 76290 2652 170500 88868 375175 116752 543510 117398 303054 85464 83586 36308 5032 4903 29454 294814 62368 871303 218229 146304 14342 28840 397370 291204 209852 300503 66462 121052 59329 231032 209007 178860 45545 3324062 54734 55636 185113 88114 13005 GLUCARIC ACID (CAS# 87-73-0); (M-H)- 2480 4036 6604 4874 8282 38448 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 108541 2522 234616 91869 1026913 357010 659494 720261 218107 683963 98640 400065 135832 324564 192569 42070 124466 430719 585672 1337251 195776 102607 136683 130361 189383 460745 2866 77917 54719 167449 120164 61350 176521 4195 170674 112494 86322 17341 109076 GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 4505 4467792 41775 258741 526740 8942 4585782 8012 3390 1700345 697334 473393 714327 6431 GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] 1545 4360 3660 6899 2278 5837 2172 3218 1480 1867 2565 5478 1497 GLUCOSE (CAS# 50-99-7); (M+CL)- 235258 92437 2395973 2466197 375699 4171846 2351909 125794 429568 138688 173436 2319526 1674629 210130 1536239 707614 2843625 623547 1323211 52289 122926 41145 3884263 2187058 1171250 742261 1970143 1215153 1491638 49904 266747 1168704 1359163 3980428 601874 272755 1850762 386293 756418 859504 77814 1461999 105000 119995 132895 213518 467469 GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- 1970 4514 14547 2229 45829 87932 GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)- 2799 20307 16696 GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 2850 71436 7013 86747 18669 77990 39918 4735 1393 42553 24714 28046 51747 67920 128032 88340 102549 44222 115375 1337 50656 18761 69449 86592 185607 GLUTAMATE (CAS# 56-86-0); (M-H)- 524989 38921 163385 160141 191871 107754 135262 207221 106000 25594 248734 52936 281359 40652 89656 170620 127158 208375 29017 259139 8989 168931 133550 153949 222794 504677 165896 103602 154024 36577 273168 82646 436682 402033 77955 305257 453616 106426 237733 24965 278707 228133 223383 163481 119229 426503 GLUTAMINE (CAS# 56-85-9); (M-H)- 50719 43536 56070 6051 GLUTARATE (CAS# 110-94-1); (M-H)- 5513 3917 7723 6618 1708 13254 4030 12623 3580 6027 2185 15683 5889 7695 9742 16276 1349 1560 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 51369 59416 52758 63961 89390 103846 88771 36984 33206 24427 5843 66833 92714 36655 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 34916 15204 4187 77381 11456 24928 12072 18147 155383 17153 24513 45594 42875 24047 20646 49526 47655 33164 15542 10503 25535 78665 12973 8985 11326 13284 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 40439 14375 44362 33546 46386 26390 4309 8589 27431 27031 1193 24138 42543 2555 40568 27321 GLYCINE (CAS# 56-40-6); (M-H)- 12477 19061 6022 21630 5216 15329 9790 GLYCOCHOLATE (CAS# 475-31-0); (2M-H)- 1023 1284 GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 228583 38255 262537 1367778 634682 219903 403533 2003 232011 16638 265816 8889 18834 11925 8955 406611 324422 61666 88964 39190 4850 585555 710020 999603 2196351 217019 153856 630360 319537 137409 13294 97962 20291 48719 6294 66073 133757 292052 1524 677747 1138390 24215 116895 68341 779615 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- 5175 GUANINE (CAS# 73-40-5); (M-H)- 27560 2130 2863 32567 1951 7219 12137 4357 12870 3688 14177 14402 13670 9987 17032 11072 15943 38712 1599 17849 GUANOSINE (CAS# 118-00-3); (M+CL)- 151601 3464 31565 26663 5583 8507 14199 32597 20957 6840 7400 4945 186764 61625 12747 14020 21062 18818 165869 5853 1726 9220 GUANOSINE (CAS# 118-00-3); (M-H)- 1760714 36347 207652 194226 120911 2733 22603 58577 25497 146393 42881 94837 58920 4416 152080 93518 40084 35915 20201 59339 3092 60241 10280 723209 207600 112421 15908 57630 45664 103050 48111 33876 66542 95275 102148 63183 82494 956327 42172 27854 56226 53318 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 11522 6660 5072 4249 4701 6153 27332 13036 2867 14530 3734 9058 17015 18223 34315 54717 6767 3821 15981 23274 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 12014 8784 7514 22872 17097 8575 12444 6577 21974 12125 11419 21486 9926 17518 12062 17551 9067 20790 9355 23283 21854 12611 19010 10293 23284 9571 15341 17546 11185 11709 20655 13901 15610 8175 19577 16605 21018 9565 23522 11838 10409 24771 8802 11542 12464 35208 22225 9607 11519 14906 17506 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 3390 2659 1321 HIPPURATE (CAS# 495-69-2); (M-H)- 47129 34043 24938 8961 2233 6027 2147 4792 6647 7380 18458 143960 16871 30696 18153 198710 46485 107198 176470 105888 1835060 32150 12609 8743 20652 31438 6547 39956 56507 995364 8181 12426 14569 4004 6373 HOMOSERINE (CAS# 672-15-1); (M-H)- 77056 19983 2304 1381 1814 6551 12646 32605 HOMOVANILLATE (CAS# 306-08-1); (2M-H)- 1098 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 822001 618248 694324 532914 493247 436423 469758 427423 720122 460073 447143 1328926 435915 467218 435510 532442 429380 639754 412700 515960 495643 476635 519381 714756 1063148 466548 518771 526921 453922 866331 580640 588322 658929 614846 1007447 493314 546560 451157 537656 864742 411401 545536 441896 417717 649717 1279718 481141 436255 435360 484563 520014 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 30865 22025 5612 44733 486774 27108 111671 125078 84424 83823 66208 36964 62171 42708 92609 62487 109949 17654 45991 59361 47214 18880 189818 56773 23597 174177 88077 58462 87722 55077 INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O] 2397 2367 1721 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)- 1007 INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)- 2870 INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)- 2468 3257 1267 2385 1652 1100 2471 INOSINE (CAS# 58-63-9); (M+CL)- 173615 43313 60231 148031 73708 51065 24203 174678 160406 55497 180644 66338 302928 138292 46682 28184 7177 INOSINE (CAS# 58-63-9); (M-H)- 3050506 17107 227440 434773 396698 472074 224461 71535 594500 549226 167310 632085 226787 398231 176776 606845 492438 96179 39014 593112 15796 181281 119298 40505 1731553 771587 324075 266403 893295 32685 24990 429948 2329 83172 112357 1985839 41138 106395 10391 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)- 6151 1512 2348 46941 4451 3355 1508 5262 ISOCITRATE (CAS# 320-77-4); (M-H)- 2342122 43413 31930 1127107 68309 32569 97977 39758 337124 118651 115005 693142 76290 347818 3197 88868 375175 116752 543510 117398 303054 85464 83586 36308 81744 79515 29454 294814 62368 144958 218229 146304 46979 28912 397370 291204 209852 300503 61335 119345 58819 231032 209007 178860 45545 3324062 56496 55636 185113 88114 13005 ISOLEUCINE (CAS# 73-32-5); (M-H)- 3097115 21224 779879 431885 594951 420111 295337 326627 38227 576178 93200 388768 321386 47255 395297 450926 753193 830072 44994 607559 995069 523883 770053 975688 529040 462797 1134035 345557 439810 70204 881421 456454 735684 580608 240440 648988 720291 630359 487484 2038985 375032 238640 329036 602134 ITACONATE (CAS# 97-65-4); (M-H)- 6380 9745 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 4822 2543 4872 4768 23056 27936 17771 5512 21992 25628 14113 9574 18001 17379 12223 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 1075530 793895 1063560 1081059 1117599 990590 1053746 1020960 2407486 2371475 1983900 2378073 1156415 1122811 1135430 1144946 1855165 2132790 2161877 2346819 2393051 2352117 3170728 2430589 2008067 2236596 1984611 2104587 2196806 1936626 1752226 2029620 2184275 1561141 2953841 2073076 2110341 2147401 2268188 2010153 2067250 2040610 2020850 2108543 1716898 1873919 2232834 1596417 1790983 1750742 1282297 KYNURENINE (CAS# 343-65-7); (M-H)- 1204 4210 1792 4294 3024 L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)- 77056 19983 2304 1381 2377 6551 10122 32605 L-ARGININE (CAS# 74-79-3); (M-H)- 112777 11352 22404 11280 9332 6608 11467 2840 12258 9459 10856 9820 7986 10003 11283 12856 19543 13303 26342 5052 6063 8950 9949 15463 6706 73831 7655 1887 8664 L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 1059 1050 1141 1421 1171 1431 L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (M-H)- 2953 3964 2156 3263 1770 4325 L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O] 2707 5737 9419 2309 7693 6380 L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 4259 1235 8196 5931 31207 32303 29904 21701 6782 31363 24733 39645 30415 8834 16896 11085 23300 50415 35052 23187 19175 44209 35127 80233 47680 29824 11981 24520 24993 34916 L-GULONATE (CAS# 6322-07-2); (M-H)- 108541 2522 234616 91869 1026913 357010 659494 720261 218107 683963 98640 400065 135832 110931 192569 42070 124466 430719 585672 1337251 120713 148922 136683 130361 189383 460745 2866 77917 54719 167449 120164 61350 176521 4195 170674 112494 86322 17341 109076 L-HISTIDINE (CAS# 71-00-1); (M-H)- 212132 17945 35626 25732 23946 14591 14797 4750 9860 22562 3775 23883 11164 23056 11057 12924 42108 27113 18319 11990 27831 43121 48602 40824 41697 8774 23692 37897 27563 8023 57045 33577 13803 19385 17214 14471 10723 102645 15780 10200 15188 9882 51380 L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 2214 L-ORNITHINE (CAS# 70-26-8); (M-H)- 17429 39601 24024 24441 85934 L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- 81547 203959 38157 31369 34291 63058 17201 22479 9224 27012 2752 2775 22143 127489 1563 81661 51484 16642 94789 84884 139755 36979 43651 18604 L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 38720 68798 82818 62050 36215 18104 35326 55624 4168 21675 9112 2103 9312 L-RHAMNOSE (CAS# 10030-85-0); (M-H)- 1056 1321 5264 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 54702 69113 67655 61393 65298 61570 64221 131077 134200 125277 109233 80758 67064 68164 71694 115177 121192 119935 124492 116217 145451 130040 150610 95180 128637 97485 105254 122360 95708 95473 117181 116779 108632 153494 112630 123354 112826 114589 134171 101186 114413 106810 114332 115721 117942 98388 109111 109315 72017 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 144597 93316 144547 113035 89836 129236 56002 88738 279973 275232 216953 136818 90084 134748 125658 186720 182492 254784 252074 312711 123324 219175 194604 210583 220834 189263 347719 226484 221374 186029 202556 243369 209361 212366 186058 135051 198274 226543 200845 130423 LACTOSE (CAS# 63-42-3); (M+CL)- 2942 188189 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 7199 202056 166526 714327 80658 6431 LACTOSE (CAS# 63-42-3); (M-H)- 1286 20468 4085 3571 1465 24452 1815 1622 17299 4606 LANTHIONINE (CAS# 3183-08-2); (M-H)- 4102 2719 2203 3267 LAURIC ACID (CAS# 143-07-7); (M-H)- 1299 1514 2234 2831 2305 1227 1286 2626 4842 1292 1377 1101 2627 1029 3278 1808 2094 3240 3211 2326 3255 2312 1457 2385 2765 2079 5967 2549 2331 1435 2748 1297 2279 2887 2094 6410 3548 2979 1873 2305 3490 LEUCINE (CAS# 328-39-2); (M-H)- 3097115 21224 779879 283656 431885 595053 418714 295337 326627 38227 576359 93200 388768 321386 47255 395297 450926 753193 63441 830072 44994 607559 995069 521002 770238 975688 529040 462797 1134035 345557 439810 70204 881421 456454 129922 735684 559906 240440 648988 720291 630359 487484 2038985 375032 238640 329036 602134 LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 2209 1261 3211 1575 5436 1379 8256 1526 2947 3103 5059 4252 18790 3812 1056 8756 12718 5847 3862 1883 4599 1065 8723 2197 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 7032 5945 1999 1032 2571 1683 LINOLEATE (CAS# 60-33-3); (M-H)- 862507 48679 63115 974806 834189 155596 224831 93537 877370 246892 161832 2030590 188832 594205 286250 585168 391170 1329003 380472 545859 977377 120289 424685 22750 1447157 180905 332875 634778 175575 460585 1217595 870837 1024757 16664 767012 520584 636436 214509 716612 598364 304002 1067941 123790 244671 56637 1784607 748732 306662 347467 270281 326272 LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 2183 1297 2314 4030 2129 2238 2249 1852 2980 3238 3386 LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)- 1965 1115 1010 1311 LUMICHROME (CAS# 1086-80-2); (M-H)- 1700 1494 1648 1748 9851 1194 1154 1952 4807 LYSINE (CAS# 56-87-1); (M-H)- 95742 6094 11950 10923 8524 7089 5815 2727 4327 8818 1955 8774 7372 5031 8571 4832 5050 14455 8664 7781 7398 16487 17364 9514 7842 15226 4176 8308 9900 7306 6221 15949 9116 2707 7943 11201 7597 6002 68634 5056 3489 5990 4013 11960 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 38371 65495 231004 69222 4400 75509 89525 206199 40584 97804 64760 108208 70533 166360 288566 61492 160502 204381 56702 94692 MALATE (CAS# 97-67-6); (M-H)- 2494970 524034 291912 1185835 497077 312524 1382532 614336 1572832 902543 690331 571542 1373134 490956 226707 946299 563369 796283 1089095 493034 1333887 1470070 240232 826274 541623 497435 1288049 514173 365589 2224467 813520 551466 1172200 2180679 401206 2732241 491233 605496 1954242 455249 1126019 3136243 1675180 858946 4601510 411677 659409 1613048 1101534 204237 MALEAMATE (CAS# 557-24-4); (M-H)- 3204 3833 MALEIC ACID (CAS# 110-16-7); (M-H)- 212919 79927 9689 36704 66773 38692 172002 77823 231223 131200 104015 69222 194021 65540 149660 75509 106999 144835 91777 203277 216298 38735 108892 64618 182500 64760 292821 115256 78758 166360 342588 394126 61492 288996 113187 183924 386100 213291 128483 683546 58055 95316 232402 156650 53734 MALTOSE (CAS# 69-79-4); (M+CL)- 3770 188189 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 7199 202056 166526 714327 80658 6431 MALTOSE (CAS# 69-79-4); (M+HCOO)- 1545 4360 3660 6899 2278 1460 5837 2172 3218 3739 1480 1867 2565 5478 1497 MANDELIC ACID (CAS# 611-71-2); (M-H)- 1813 3493 3705 3559 31303 1546 1752 MANNITOL (CAS# 69-65-8); (M+CL)- 436551 MANNITOL (CAS# 69-65-8); (M-H)- 3251 4438 2165 34090 28230 9927 4219 25846 45233 4588 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- 1970 4514 14547 2229 45829 87932 MELIBIOSE (CAS# 585-99-9); (M+CL)- 3781 188189 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 7199 202056 166526 714327 80658 6431 MELIBIOSE (CAS# 585-99-9); (M+HCOO)- 1545 4360 3660 6899 2278 1460 5837 2172 3218 3739 1480 1867 2565 5478 1497 METHIONINE (CAS# 63-68-3); (M-H)- 487915 31940 110770 51703 90395 36374 57499 55736 5600 52209 50725 92801 54800 107903 83397 119697 61349 178656 47000 63607 9835 85340 50604 62654 64140 59098 26567 64149 88738 83096 64498 339522 40176 31392 45282 33843 69379 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 1870 1453 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 3938 8708 6881 13783 3792 2107 3981 METHYLMALONATE (CAS# 516-05-2); (M-H)- 785398 132576 122212 476902 224694 230522 323902 270028 336319 327587 157595 264523 236977 256451 186586 210786 277503 257349 506980 475346 673533 206943 400131 108660 435736 306621 293623 544250 300382 230386 665297 413016 357270 125854 879244 594466 638147 282081 307749 498972 1328653 506869 781579 801547 99977 1276464 183148 213823 468114 352445 348116 MEVALONIC ACID (CAS# 674-26-0); (M-H)- 4802 8914 7242 3869 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 5262 17068 12363 6739 6210 5813 7036 10913 12824 12008 8201 11000 22937 11456 9461 14153 5757 12875 7982 8453 15353 8145 70518 9430 16559 5983 8433 16353 8292 5355 8481 12524 9752 7836 8109 10507 12084 10212 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 37284 21825 18651 42776 44450 18258 22812 17783 62020 23994 28700 84379 23258 38012 25957 46172 20641 54230 19741 43930 44203 31544 44053 21104 49211 20249 34109 36707 24791 30337 37403 34222 45196 17646 43926 30347 42091 21832 44810 31623 22216 51094 19490 22202 26784 60952 46909 21423 23283 26389 40289 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 1414 1202 2014 1180 4645 14225 1689 1824 1160 1118 2094 1114 4280 2942 11815 2399 1012 2152 2570 1285 18743 3235 5974 1022 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 517514 64310 105991 92746 93118 46604 17270 232818 167890 137679 20647 87036 276501 37540 237225 90578 94067 118533 271783 430879 264911 62124 140544 349826 81204 74912 195349 119886 445150 297649 139833 231370 11145 332538 119992 130515 142192 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)- 15111 26124 5387 1530 6251 3907 4020 27433 4410 17297 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 517514 64310 105991 92746 93118 46604 17270 232818 162245 137679 20647 87036 276501 37540 237225 90578 94067 118533 271783 430879 264911 62124 140544 349826 81204 74912 195349 119886 445150 297649 139833 231370 11145 332538 119992 130515 142192 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 3084 5795 4834 18667 6202 7491 10811 10061 7625 21809 6888 16501 7652 10501 10985 7401 39254 1295 16704 12177 4524 24768 38840 24228 63582 1004 17267 43916 4531 34078 46542 3370 19224 15910 13736 12951 39590 17588 13078 8306 4251 24891 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- 247371 370029 3640 96200 153059 2365 150287 337514 282014 81262 27207 193138 205466 7170 470600 228766 103540 169851 776576 423647 99056 243703 108174 158123 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 872186 61278 84071 161560 107958 150378 83358 88704 5922 217613 7388 127095 224662 7673 78796 96144 109080 613126 7490 425998 225405 118246 364533 218614 138997 377777 231434 124039 133636 4439 245359 69108 470173 477056 27472 308752 182662 211978 202852 2294 847450 144243 101687 114236 67476 182613 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 524989 40405 163385 160141 191871 107754 135262 207221 105987 24282 302840 52936 281359 40652 89656 167413 127158 208375 29017 259139 8989 154033 133550 153949 222794 504677 161174 103602 154024 36577 273168 82646 436682 402033 77955 308561 453855 106426 237733 26995 279806 228133 223383 163481 119229 428904 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 59689 63331 132858 121113 72313 130814 85556 58395 1345 158201 68395 110456 74039 81642 50303 74964 249184 108520 119178 133671 334973 88599 85245 187599 107407 65581 86318 114008 102900 58359 167333 192625 21463 86929 142375 87084 122301 181213 87936 87904 70353 50120 101680 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 54088 30813 16495 17791 181791 27657 28135 69158 340245 1009 63631 53392 8142 110086 54262 48310 428573 3260 36474 31475 233738 31181 73397 163371 13911 8228 62121 56807 86448 60746 80859 3298 65458 16164 19027 119400 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- 42835 11978 23209 19857 15643 23544 28174 14716 27060 2145 20948 4392 17738 13994 19240 20444 23504 23977 3709 37041 22107 19445 19998 27256 24383 23312 33947 20071 20219 4549 36294 10827 20067 33035 19177 12485 26357 35268 27874 36927 26251 12069 18607 16639 24390 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 4630 4725 12764 10145 7763 15270 13451 8216 9155 22424 1006 12328 23153 3132 7798 7819 40747 20749 96346 1608 29938 30938 8566 30559 44021 29095 93079 17012 13606 19932 2190 18731 26717 10830 46403 46848 3320 20376 11758 19334 24507 30439 11056 12214 10747 4997 13968 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 5834 5224 10108 4126 5433 7661 10993 5768 10873 3178 10348 37557 14109 40440 1262 16857 3788 18249 31313 40703 118329 14693 20974 5550 15390 4113 28865 29164 7305 7408 8232 8227 2757 7572 2128 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 517514 64310 105991 92746 93118 46604 17270 232818 167890 137679 20647 87036 276501 37540 237225 90578 94067 118533 271783 430879 264911 62124 140544 349826 81204 74912 195349 119886 445150 297649 139833 231370 11145 332538 119992 130515 142192 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 25950 1518 60067 13997 31510 27155 1214 10037 6017 16116 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 29225 5272 51234 51951 5518 20196 42966 20129 3541 103040 43145 28184 10167 21935 77074 34898 9226 114108 50891 6064 3136 36366 104686 101885 10663 22515 42487 40674 5863 81404 80923 21382 58020 2096 88910 8167 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H)- 21316 24665 22239 3966 1783 43216 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)- 9705 9194 N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)- 34484 N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)- 2070 1435 7509 4561 4106 4136 4590 3726 8879 3440 16892 10691 1774 5203 10553 1620 5257 33497 1437 3671 N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- 1676 N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)- 1039 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 524989 39018 163385 160141 191871 107754 135262 207221 105987 25594 248734 52936 281359 39665 89656 170620 127158 208375 26566 259139 8989 168931 133550 153949 222794 500167 165896 103602 154024 36577 273168 82646 436682 402033 77955 305257 453616 106426 237733 26995 278707 228133 223383 163481 119229 428904 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)- 1032 7263 N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M-H)- 2480 NAD (CAS# 53-84-9); (M-H)- 13051 16066 17382 1004 4097 4866 14016 1498 NERVONIC ACID (CAS# 506-37-6); (M-H)- 3235 4376 2497 1730 NICOTINATE (CAS# 59-67-6); (M-H)- 6482 29288 148622 119687 270665 59164 1846 132118 7808 88871 153041 88304 59356 189173 91343 2387 4733 209453 6559 99642 61264 182588 3226 1404 94019 195477 146206 184461 112551 190633 1154 90305 173185 NORLEUCINE (CAS# 327-57-1); (M-H)- 3097115 19683 779879 283656 431885 595097 420111 295337 326627 38227 575191 93200 388768 310147 47255 395297 446679 753193 63441 830072 44994 607559 995069 520861 770209 975688 529040 462797 1128778 345557 439810 67723 881421 456454 129922 735684 559906 240440 648988 720291 630359 487484 2038985 375032 238640 323135 602134 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M-H)- 6417 7022 5434 4249 7099 11129 13758 O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)- 6417 7022 4431 4249 7099 11579 14689 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- 2428 5638 2755 OLEIC ACID (CAS# 112-80-1); (M-H)- 698046 118920 101602 791526 552557 215584 146612 76499 993287 165427 276794 2654236 286448 538541 348189 598483 242359 1290882 242498 444658 758078 172216 287841 26802 879862 90766 326654 407530 127385 407094 990649 768990 962773 13649 712198 420337 483734 160148 562709 532061 189568 926441 85016 197842 158313 1245589 492114 340372 293639 200338 305037 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 2583 1002 1541 1774 7032 1848 OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- 1164 2548 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 255903 43287 20274 12336 56843 14424 14402 14449 1169 26045 21093 50921 40334 39570 23321 53865 40776 10811 146355 60990 18073 140002 59067 16644 5003 29521 29376 4016 18947 25835 33117 56392 51664 227532 24443 41761 13812 OROTATE (CAS# 65-86-1); (M-H)- 41292 21825 5909 1292 4996 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 51369 59416 52758 63961 89390 103846 88771 36984 33206 24427 5843 66833 92714 36655 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-H)- 244602 PALATINOSE (CAS# 343336-76-5); (M+CL)- 4505 189532 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 7199 202056 166526 714327 80658 6431 PALATINOSE (CAS# 343336-76-5); (M+HCOO)- 1545 4360 3660 6899 2278 1460 5837 2172 3218 3739 1480 1867 2565 5478 1497 PALMITATE (CAS# 57-10-3); (M-H)- 287857 189542 148520 431748 316792 163724 231912 148560 426383 183339 209458 647749 206242 318133 236073 361182 195484 386621 182814 346763 315765 237911 291211 181591 443193 178901 262427 302346 205435 216476 524033 281276 341684 164121 323964 270637 357218 177921 352146 256345 193470 386478 164768 191591 226218 594461 334300 180024 203591 252230 310955 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 118954 21078 20693 80002 57267 18245 14251 29352 336485 34389 74180 646335 65700 85727 40902 87688 23659 286076 19827 45156 95170 42452 67479 11240 76222 14505 40192 41343 17326 75527 215856 137935 202031 4806 100525 15563 52344 38737 72833 84461 22642 144494 8285 15250 24268 332587 60306 56056 35245 22353 34323 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 100925 4416 27921 43426 24494 10671 3464 13308 8564 27849 68354 46601 21905 16506 117234 22145 7711 17318 7392 2007 59231 25201 17054 126240 PANTOTHENATE (CAS# 79-83-4); (M-H)- 1285232 24628 86094 157590 1006117 105938 1215852 951080 306097 27151 57384 331745 20417 133637 620248 27463 153498 318829 672847 245172 281750 29106 904406 28847 961420 444228 1097211 384835 517144 2797764 435741 259811 563879 16706 265246 177144 118868 1919521 285996 58037 555272 160456 300455 276290 29984 1561836 129011 47365 295892 93472 205898 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 26391 20576 3913 7859 4258 37483 19510 38666 12618 7682 34524 22084 23452 54975 14179 31931 22935 32212 11114 13527 2211 1055 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 19342 17375 32863 42821 40176 165768 21172 37280 82724 511349 130798 55241 77844 114343 162044 380254 29909 91996 46244 347767 386119 452664 105411 81710 79216 49676 86729 151236 2940 60811 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 1598 1269 2448 7839 27732 8569 1001 6688 10653 20914 18323 20328 29070 5962 5944 5903 PHENYLALANINE (CAS# 63-91-2); (M-H)- 7159647 49811 565947 1885606 1410689 1008447 1675327 1118127 754099 970789 106424 1373106 324415 1065354 784228 137415 1102598 1292727 2022840 1316864 1876025 171618 1987356 12341 2269904 1303506 1842490 2635165 1638636 2949083 1025405 1088217 233320 2482276 1046463 1204539 2058430 1428801 834238 1777230 1728963 1908205 1268334 46775 5322404 1100949 6448 1147995 868294 1424730 PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 1269 1375 16182 9911 2731 43350 17037 8659 5932 1387 PHYTANATE (CAS# 14721-66-5); (M-H)- 1773 1512 1132 2405 1600 11431 3422 2850 6856 1210 2355 2462 2900 2086 5427 2860 2165 3291 3353 2878 1580 PICOLINIC ACID (CAS# 98-98-6); (M-H)- 10836 6500 4630 7263 117595 177959 4939 1846 139736 7846 2797 159166 88260 66666 186745 91633 2411 206561 81794 60774 202868 84759 1406 88239 187254 137377 174316 136939 1154 239899 92715 173185 PINITOL (CAS# 10284-63-6); (M+CL)- 1870 1008 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- 1388 4428 3645 3714 1076 1513 4256 1480 PROPENOATE (CAS# 79-10-7); (M-H)- 14944 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 25700 4354 8242 3160 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 3249 4091 2356 1598 PTERIN (CAS# 2236-60-4); (M-H)- 1177 PURINE (CAS# 120-73-0); (M-H)- 3056 2158 19272 39383 44654 1834 18787 1609 PYRUVATE (CAS# 127-17-3); (M-H)- 1278 5447 6280 4844 QUINATE (CAS# 77-95-2); (M-H)- 7692 18280 5809 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 1858 6338 RAFFINOSE (CAS# 512-69-6); (M+CL)- 3596 2149 587569 79519 316268 211977 357529 2995662 100784 10086 2270 720028 7501 178865 2409209 15819 1096708 514219 851113 28826 91132 1119 5727 991825 223357 2059585 292527 512595 320974 74431 217797 1386446 97993 184791 2949297 76507 32787 22514 41495 122207 1059 44562 25282 48708 2007 4148 17702 RAFFINOSE (CAS# 512-69-6); (M+HCOO)- 43929 4914 193241 18779 129270 201782 74453 14390 220678 61697 4505 28965 6103 87751 17624 8122 3929 2706 6274 11029 8050 24324 2732 1592 2162 5999 RETINOATE (CAS# 302-79-4); (M-H)- 1270 4074 2311 RIBITOL (CAS# 488-81-3); (M+CL)- 6876 11708 2733 3354 8536 6756 RIBOFLAVIN (CAS# 83-88-5); (M+CL)- 12667 5593 14430 2446 2316 5521 1945 6123 12115 8594 42163 9627 2520 5493 3349 9020 10450 4138 2637 13829 1369 11810 5953 2618 57299 23953 9885 7589 2588 17487 RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- 44660 26136 63844 11890 10770 9623 5482 1067 21721 10818 6196 23195 35044 5125 26028 33048 141465 32555 7732 15534 18158 30768 40741 10954 10331 51112 6906 7896 42523 27461 11902 4314 148718 99195 45859 31701 9848 61568 RIBOFLAVIN (CAS# 83-88-5); (M-H)- 40514 26039 58978 12270 11471 8253 4075 4565 1861 22375 10041 7039 23292 35604 7626 28524 31968 139598 33405 7975 15839 19589 28579 39226 13290 9411 3074 46369 5688 7689 44258 24926 12555 3650 146834 91850 42178 30765 9348 60195 RIBOSE (CAS# 50-69-1); (M+CL)- 15245 8689 4711 11263 12341 21292 17594 2132 16357 10932 24943 22338 30082 1474 3021 5313 16171 18943 RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 2697 18887 10924 15644 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- 2445 8230 2766 1798 2621 19140 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 2468 16060 3825 1526 10247 1124 7108 6389 1027 1207 4652 4692 8463 1351 8098 24689 3663 4017 2714 9916 4021 12432 S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)- 1377 7719 SALICYLATE (CAS# 69-72-7); (M-H)- 5511 20183 16087 SALICYLURIC ACID (CAS# 487-54-7); (M-H)- 85480 SEBACIC ACID (CAS# 111-20-6); (M-H)- 7232 6579 9147 6985 8581 6906 10493 7911 15891 8864 9638 13446 7484 8170 11398 5255 8103 10092 11621 13735 28460 10845 15317 9489 10624 10216 12928 11494 8298 11196 9777 10722 52665 6245 18229 24263 8633 10595 12350 9976 8072 8308 9949 11139 8554 8965 9128 9556 9057 8758 10853 SERINE (CAS# 56-45-1); (M-H)- 5904 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 1953 149140 2130 87254 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 3585 SORBITOL (CAS# 50-70-4); (M+CL)- 436551 SPHINGANINE (CAS# 764-22-7); (M+HCOO)-[-H2O] 1209 STACHYOSE (CAS# 54261-98-2); (M+CL)- 112752 17555 319209 203972 695751 399870 54110 217184 1868 72948 460525 2605 103506 81153 293528 17696 97490 512670 263496 758692 113389 79745 250987 20856 46633 285874 72683 39103 548240 49198 1454 25056 8017 48583 54998 11589 19695 7116 STACHYOSE (CAS# 54261-98-2); (M+HCOO)- 15927 45518 26061 33538 5788 7026 30876 3195 48276 14677 5698 23653 91062 2667 1994 27846 20385 4236 STACHYOSE (CAS# 54261-98-2); (M-H)- 20496 71993 37980 10450 69757 11236 41239 7079 78108 18621 18406 52788 19469 62651 41610 128294 22989 17010 45525 45702 9195 6377 71063 9831 9618 12953 STEARATE (CAS# 57-11-4); (M-H)- 250102 126344 111716 291472 220530 124844 155530 106180 290244 158910 143592 479270 134365 236442 183461 218198 152907 343023 137168 273991 291137 165997 219652 115736 318289 126446 198365 212619 154460 210364 463827 236057 247425 118465 291544 246113 224922 128050 381173 161677 132588 423952 121042 190855 172258 608547 323614 155749 192563 164573 288209 SUBERIC ACID (CAS# 505-48-6); (M-H)- 12554 11123 14811 19573 54352 19336 21373 60751 12711 58712 11938 20721 33542 43941 156986 19042 71451 53889 30129 35031 75937 16578 62968 135421 54096 56590 52327 22896 35694 16270 SUCCINATE (CAS# 110-15-6); (M-H)- 785398 132576 122212 476902 224694 230522 323902 270028 336319 327587 157595 264523 236977 256451 186586 210786 277503 257349 506980 474620 673533 206943 400131 108660 435736 306621 293623 548141 297640 230386 665297 412923 357270 125854 883312 594466 638147 282081 307749 498972 1327876 506869 781579 804917 99977 1270046 183148 213823 468114 352445 348116 SUCROSE (CAS# 57-50-1); (M+CL)- 4505 189532 134608 350936 4467792 465399 41775 258741 236554 526740 8942 4585782 8012 3860 1700345 602984 697334 265316 143591 214838 473393 6294 202056 166526 714327 80658 6431 SUCROSE (CAS# 57-50-1); (M+HCOO)- 1545 4360 7999 6899 2278 1460 5837 2172 2555 3739 1480 1867 2565 5478 1497 TAURINE (CAS# 107-35-7); (M-H)- 136410 107270 322463 369557 68028 196023 43288 33588 33290 25225 248908 4841 124692 253443 48534 16204 199409 426980 12557 44201 199802 191753 103136 296247 26373 228506 55053 172333 32046 156764 103944 14702 76189 812950 387010 99632 75117 32338 201360 51889 5418 19694 11278 536950 TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)- 11949 85228 60534 12353 20153 72039 124852 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 524989 40405 163385 160141 191871 107754 135262 207221 105987 25594 302840 52936 281359 40652 89656 167413 127158 208375 26549 259139 8989 154033 133550 153949 222794 504677 161174 103602 154024 36577 273168 82646 402033 77955 308561 453855 106426 237733 25167 279806 228133 223383 163481 119229 428904 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 3863 4091 2356 1598 THYMIDINE (CAS# 50-89-5); (M+CL)- 324978 63201 213483 989254 170427 75340 87058 68582 95230 11886 242504 12955 356344 228092 3049 404813 518873 244624 186838 290111 9114 845107 8990 181724 120099 159219 148715 192835 212016 151855 265852 140411 6766 564370 322508 46607 577015 492514 59371 661719 812674 218267 146664 215197 574729 112884 386849 213784 792727 THYMIDINE (CAS# 50-89-5); (M+HCOO)- 162614 63263 133779 650814 160320 28274 45327 17976 39815 11776 94044 4962 183753 143341 6811 210424 210650 80196 63640 122321 5125 255015 4977 53334 65578 90228 55949 100151 99046 58887 95119 71690 8103 140221 147607 12852 283912 213719 31949 250203 421474 59986 47984 150311 267625 90204 166084 107501 462149 THYMIDINE (CAS# 50-89-5); (M-H)- 111313 38341 92696 498487 112532 18033 28205 15310 22623 5893 72578 1789 140223 103275 149326 165638 59082 45791 94972 5028 196862 2638 46533 42427 63464 39427 72222 70327 36428 72069 56629 3693 100024 109145 10079 200743 159689 22668 178661 313918 39135 26511 111080 200870 55308 114213 78646 352754 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)- 2974 17968 62877 16506 4314 13641 35757 69017 39859 29022 63650 115700 68822 26875 36206 6269 26455 23919 THYMINE (CAS# 65-71-4); (M-H)- 4926 3035 6270 5868 13734 4248 1291 10553 7790 12206 11394 18562 13086 1945 5453 4918 11005 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+CL)- 50806 26228 1946 2215 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M-H)- 409835 27161 23248 22999 1217 1859 21984 14878 47684 2495 59170 264338 1672 11668 450274 15503 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 37838 85290 96211 115790 80603 27052 16432 15905 38976 129921 38202 337755 227587 145482 37656 57028 8434 54642 47680 80468 72559 420143 18874 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 698046 118920 101602 791526 552557 215584 146612 76499 993287 165427 276794 2654236 286448 538541 348189 598483 242359 1290882 242498 444658 758078 172216 287841 26802 879862 90766 326654 407530 127385 407094 990649 768990 962773 13649 712198 420337 483734 160148 562709 532061 189568 926441 85016 197842 158313 1245589 492114 340372 293639 200338 305037 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 8854 2548 7719 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 18020 15690 61352 53529 16092 2720 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 2598 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 2527797 14044 623000 595000 446528 571095 757946 39356 633170 579049 538476 30793 528880 602228 1029051 44777 1468532 669724 1013516 973616 795544 772610 1072220 466977 635656 70319 1163007 755721 1905310 863205 916169 783745 1011742 713865 17089 2313445 754507 940962 TYROSINE (CAS# 60-18-4); (M-H)- 3256403 39136 257505 874096 499023 491670 824035 485510 277410 389980 53642 464377 170247 479619 344275 86632 437989 482541 837255 542815 556204 82432 596283 9727 1143753 551247 660550 1093990 602776 392216 1245869 427954 435693 119192 819368 409954 518229 660264 516024 317687 668587 735218 684716 496935 31064 2300790 503397 255706 439762 350499 627111 UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- 4473 1774 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 4473 1774 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- 14000 UNK_112.0158@1.1233789 26717 205612 3646 468185 1038 3113 1398 3412 UNK_1129.5281@8.504318 25280 5519 55345 28595 10427 30492 34602 2279 51735 89988 3781 41896 10174 14929 51569 16661 114098 4802 57120 27223 392012 149342 71406 14796 13761 77887 63529 35109 169472 41624 83476 43373 16870 26107 7358 UNK_113.9946@0.75600284 1790 1083 UNK_115.9948@0.7666334 1882 1166 1779 1198 5196 1827 1120 4095 UNK_118.027@1.3185407 790919 131225 123967 479628 229326 234651 326825 277852 338275 328303 156667 263335 238496 252000 193163 212684 279803 263307 509350 478368 675507 208250 406115 110418 437961 308063 297617 556207 303598 228467 669170 413208 362339 127396 886925 596313 633751 283046 313560 501305 1335528 513755 787323 808246 98495 1286846 192320 218994 470318 353825 344678 UNK_118.0622@2.5160377 1749 2019 2754 1355 2323 1312 UNK_125.0227@1.0363531 184006 14225 16525 31817 3322 12628 1403 50737 38633 144776 45943 UNK_129.0424@1.0759834 362805 434800 168625 196991 99454 333740 621578 275382 121589 261097 485110 753906 41498 471927 617268 373650 126628 349132 353365 296497 860045 702097 238112 555790 394178 131453 615800 190242 673982 251725 258434 68454 468284 494926 734385 423310 1145144 547604 609448 427460 311998 174513 370953 434598 195436 902128 364985 288347 807664 UNK_130.0268@0.7484219 98935 39689 23488 45848 60232 32803 42306 40231 161690 10547 21731 14014 28021 52283 11988 22366 55694 19094 40313 30225 26827 45394 41401 50605 340688 306125 51498 46447 102252 3687 32196 22156 31734 47949 18338 68735 37924 20415 34103 7370 100375 35006 32385 32674 19948 UNK_131.0945@1.6398418 3098535 21369 780701 282073 432594 599722 421022 295654 327244 38227 582529 93543 389570 322387 47492 395667 463990 754087 64243 832397 45133 608828 996896 525285 780111 976616 529640 463549 1135054 345969 440107 70204 882296 458433 129322 736591 582011 240705 651450 721325 631664 488048 2040728 382640 238866 329535 604059 UNK_131.9753@0.52300006 26811 1641 40576 3500 28213 15560 33428 16723 17731 4216 23449 20450 7924 10871 16715 UNK_134.0215@0.739355 1554644 524208 292420 1186012 480707 320894 1384494 615802 1573074 903046 690994 574715 1373305 491138 227060 947100 563369 796405 1108507 493984 1334392 1471416 242313 827189 542903 500061 1428619 514173 371702 2225110 813520 551737 1172522 2180846 401572 2732637 494400 607302 1954424 749431 1127069 3152995 1675976 859208 4553844 411560 660210 1613048 1101534 211172 UNK_135.0542@3.9061863 43025 50833 48997 71361 65134 54559 55319 49582 71265 70508 56128 63092 52611 58510 78826 83697 73396 93394 69712 83295 83741 82439 77683 78106 79685 64836 74889 76909 78176 61302 102142 70176 87859 84891 86374 70168 88332 69742 80910 77148 44022 89676 69180 70721 75418 59277 UNK_136.0364@0.7111713 56307 20495 179973 69843 58063 87061 121231 36145 71768 17601 18282 101841 93369 37439 20814 139110 67422 109892 34409 121205 139455 142874 93814 232237 212667 39515 80825 68680 119850 39209 49012 55731 72480 126119 149916 93943 48424 UNK_136.0383@1.0785222 43720 61071 74285 14594 138118 592465 36315 155334 24564 114956 153263 114774 31358 208225 214651 81419 52573 18257 52618 53210 192422 348783 318420 507063 53253 124185 37726 361995 107640 86375 31750 70287 116646 152623 360146 104614 71498 38145 UNK_138.0319@8.232623 5739 UNK_138.0446@5.348761 147580 91889 148344 113330 90180 129514 56912 89815 275036 276327 217393 135748 91108 136048 126157 188248 187569 255379 254397 313366 114606 225040 195104 210918 222267 190064 340026 226772 222444 186831 204791 241337 210022 212926 189148 130420 198812 230719 201264 145510 UNK_148.0368@1.380928 34164 19729 5693 5579 29924 7564 34790 41005 UNK_150.0515@0.69623667 133881 787098 44906 16547 770915 26427 139387 475813 26935 279148 98857 14201 86690 4415 538555 1622303 244353 715174 22757 98890 58611 711100 46531 144196 173214 228576 15464 366610 140801 127700 65826 51031 UNK_152.0334@1.2943257 422568 100527 69652 253586 221977 172197 1574191 56488 213019 578094 22236 72313 188193 702991 706023 679088 669067 543327 574116 250070 218919 72756 196661 477350 93479 111468 230915 479440 243269 132031 3147744 308701 175180 159150 290679 331482 1018921 1407457 546606 1330493 222880 321642 413077 541637 229262 226082 UNK_159.986@0.55244464 184279 10253 131589 57119 466102 310893 116789 292234 43247 45623 28859 140141 24561 433225 802695 23489 178963 112684 71345 103199 852162 28928 644351 16797 268523 267539 671136 227671 521954 463984 109662 191030 512558 27144 117421 797491 41767 960760 333270 68169 1107962 89762 115444 102201 28509 306723 322823 129009 126254 67662 542503 UNK_161.0478@4.9468975 655085 1942 420749 50634 754551 640769 243671 447315 246378 471750 39310 5613764 26340 4327845 6284520 9177 297666 1964871 1593235 3993761 17700000 32248 10200000 35924 2114820 504415 1475390 1609105 4461002 7996539 947425 3555534 5674238 233393 6012009 17800000 141105 9623636 10300000 811511 18300000 3017671 2465353 3223688 24964 1201822 3283332 3238132 758297 400795 2020135 UNK_161.0505@1.8518721 1502 4004 21635 UNK_163.0633@4.947344 60298 37996 76229 56680 29925 45051 102659 41691 5697 506479 410419 559335 26764 193519 196578 521889 2026821 1119461 280645 54222 163222 157256 401173 692427 87127 319112 524849 21269 547790 1595206 15966 851899 1048278 71004 1583981 297502 220347 291417 1763 123058 310128 280476 508801 251757 654418 UNK_165.079@2.5263324 7164257 50180 567239 1887325 1413088 1009834 1677535 1117466 753830 973269 106073 1378499 325108 1066928 781708 138166 1106946 1294850 2024981 1318696 1873065 172606 1991187 13635 2273541 1302089 1841335 2640616 1640012 2948620 1027147 1090248 233906 2481261 1046320 1203058 2059211 1433235 837278 1774144 1725789 1911587 1270881 46946 5325352 1102294 1149899 868039 1426655 UNK_1671.099@18.386717 100321 UNK_1671.099@18.583702 30033 151554 30733 175761 493896 2243 166726 289679 178101 169349 175246 76437 210459 35819 149617 130495 311870 158379 219458 78260 143313 150168 64699 50920 93381 UNK_168.0283@1.0311911 6585007 372335 617020 2184096 597860 563266 507365 527886 376407 1079395 158325 808905 410382 896551 450501 153034 745950 731187 993090 1425245 805957 345093 566840 111916 1452031 1310797 352662 1910679 791304 276348 1881783 655467 428277 320697 2563879 492143 1450516 636693 967530 929096 1271780 1541738 1753411 734664 89258 4846934 601408 632482 2070875 1449352 1207293 UNK_171.0807@15.714636 5451 UNK_174.0995@1.4754716 625025 18157 196989 136007 77419 117706 103534 83532 121708 69335 14553 77066 3416 88441 106101 208589 199257 3045 180454 213695 130178 118892 284807 125354 372201 116397 10480 343006 111736 150560 60050 227250 125811 218655 225262 513832 136899 147979 91381 UNK_176.976@0.5400005 21856 14041 41833 27962 12544 26545 5260 5220 13998 40082 51532 18044 11384 8196 10748 51303 3044 47859 27065 25102 47827 23591 43904 39069 12303 19122 42755 12778 49578 4586 53160 29790 7123 51551 9684 12754 2858 37590 31232 13016 13405 44579 UNK_179.0583@4.814519 65096 2966 45309 36736 14498 12347 10653 10856 7981 1440 12070 2002 8822 8043 24014 165239 5803 240864 66047 130991 182855 126778 1843934 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252748 77997 219163 16514 79561 10845 251531 46536 5627 67824 59981 266033 109787 225506 39423 64840 64337 40684 106357 157557 50546 132486 58012 86950 11088 252927 124184 40634 133192 10709 209536 41475 60326 162267 246736 110412 41524 38497 107702 263396 116535 UNK_974.5326@18.344435 93697 155749 67728 UNK_974.532@18.420126 42054 43991 17672 18931 113074 12665 157781 51158 72121 71496 60182 125629 28015 72506 46375 15555 50670 43093 70703 78964 31048 47003 66109 153451 10645 118307 88598 33704 145778 9165 53523 50023 105442 50601 109228 10104 72737 117142 83208 UNK_975.2773@22.437801 31066 3982 23464 2441 1020 6940 2098 2310 15569 1858 14496 11939 14042 2654 26173 10925 7813 7255 UNK_977.2933@22.733978 8649 14112 3704 11727 2551 UNK_984.3683@22.730236 45108 1420 2830 24508 21484 5478 7400 4006 21145 8962 5406 75590 6919 13019 8963 11561 17015 47556 14929 9855 28090 3164 8186 42032 7707 7711 15985 14896 43525 35010 30598 18915 14899 12705 7933 12407 23389 8689 28232 10039 33400 17878 11056 12938 6675 6332 UNK_985.1814@18.377636 150460 93656 166525 13418 15613 48505 20946 135118 80648 22848 86022 26780 24721 6257 59382 53054 17136 36147 13746 48992 13801 61793 4483 109048 4827 139762 7629 24930 39351 45084 19247 35972 14046 UNK_985.1817@18.73327 23545 1394 16136 UNK_985.1849@17.89547 28157 UNK_985.1855@18.081541 32521 UNK_985.1856@18.314377 86022 24721 43042 109048 139762 15744 UNK_985.1859@18.4849 127321 43406 166525 12932 25987 54490 21176 136282 80648 26334 54766 21737 8771 36028 35801 50505 17878 18961 29046 13801 61793 4483 4827 6357 25474 39351 45115 19247 35972 UNK_988.4025@22.934595 50260 19481 12029 6975 37140 5640 7451 107074 12824 12695 9397 13493 9315 57658 8723 27803 3781 5847 24462 9754 10348 16436 55463 38874 39361 21749 11261 10246 4604 12015 25285 6330 30482 49774 10937 15124 13358 6811 5633 UNK_990.3875@22.730902 28775 19476 14721 2916 3986 1881 14708 4407 3516 70424 3209 9787 5618 8748 8857 36716 7170 6041 17248 6081 34193 3278 5527 10451 2757 7695 36220 22835 20195 13282 7465 7218 8870 13672 21048 1729 4195 37432 11579 6183 6443 3869 3691 UNK_992.4298@23.189266 22627 9258 12667 11077 13995 8904 8680 8652 11610 9952 10551 30023 10418 14505 11724 9891 11747 15717 10438 12952 13366 13539 10157 8208 12328 9248 10416 10845 9464 12564 29395 13865 11821 11825 13437 13779 9750 12256 14859 10132 9007 16236 9839 12270 9337 26514 13352 15188 13367 9658 11466 UNK_994.4187@22.932117 24550 12823 8036 6595 18807 78357 7202 9289 34695 13099 16226 30033 21915 24985 13425 5151 14951 16954 30943 7529 UNK_994.4282@23.165855 1726 UNK_994.4283@22.63846 1331 1675 4869 UNK_996.6169@22.120829 125542 1927 6216 1386 4060 2720 12880 UNK_998.0824@22.872808 20325 26422 26064 31199 28784 28417 24611 24273 23274 23077 30387 17061 33427 30438 25997 26252 29693 20454 30271 22653 23478 24443 24965 26132 24318 24571 28790 23405 24400 28835 16006 26115 23115 26507 26528 26637 24815 23588 27758 28821 26569 26248 28652 29846 27776 22011 24524 27827 26097 24692 25187 UNK_998.1608@21.719799 4421 19722 32442 24413 7872 18069 38429 32838 32611 33557 16027 3245 30301 15637 6260 26988 36509 30943 31535 30452 UNK_998.1614@21.694118 2730 7446 2676 5276 16710 UNK_998.1628@21.65379 7525 1813 7129 21483 12733 11530 16537 6782 1013 11600 18069 2730 29340 26876 11018 8998 4907 1322 25371 1401 22731 33176 35593 11853 15099 3320 35009 28798 11639 7422 6260 2381 20461 11671 27904 17729 20501 7063 16078 17839 5276 31726 17033 33343 UNK_998.1637@21.59164 1899 19513 8545 10640 5968 4907 21110 25166 13110 28887 7175 8775 9310 5730 13057 19711 URACIL (CAS# 66-22-8); (M-H)- 352422 75161 53077 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 1369 21825 1191 4996 URATE (CAS# 69-93-2); (M-H)- 6503068 370989 624008 2173218 572868 583699 510605 528280 375636 1071953 165167 790640 408245 896371 450618 153737 714648 731382 994463 1413260 846879 353985 556693 123426 1430582 1304954 353003 1910327 775448 275589 1877771 654736 463238 320330 2560407 476154 1453537 634443 942408 940244 1228422 1543018 1757644 750521 101169 4806845 600636 665139 2071331 1454692 1201415 URIDINE (CAS# 58-96-8); (M+CL)- 5003287 54728 64795 2429055 265550 449016 628519 70722 497212 848169 211065 418369 416777 129618 88403 223512 754629 537429 1064703 767791 251692 135394 98826 868719 1028830 445505 681490 105356 4294857 1328505 197774 267796 1439974 74576 1973995 28950 970552 449938 928331 1427024 740691 74079 4242663 431874 175290 1592812 957537 114414 URIDINE (CAS# 58-96-8); (M+HCOO)- 287526 18002 29848 83408 67838 35116 35960 55612 38484 47740 51947 32139 38716 20082 24219 66362 29214 29269 64148 15436 50955 26468 14939 263909 35537 76994 40348 28820 URIDINE (CAS# 58-96-8); (M-H)- 915582 49358 47080 461608 303176 199672 190464 36028 119684 173612 105588 184563 119816 105908 136142 130697 201686 222916 204932 121588 130983 108847 162146 57412 271827 198416 217943 265494 50800 48524 707221 191227 293869 88764 335550 174654 369856 55769 37754 223803 296936 222089 291929 144554 51234 710321 60962 44098 323556 172905 98179 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 17683 33333 4689 9154 6446 3334 6922 4466 6667 5483 44946 40997 7935 87655 40523 27720 2303 4756 17490 3968 9784 39535 16733 3542 12650 34280 8230 21725 27207 55538 8970 2102 5376 20045 6200 UROCANATE (CAS# 104-98-3); (M-H)- 10913 12414 9973 6698 16969 49424 15323 20398 11100 9229 6233 6452 4020 6391 7413 1679 URSODIOL (CAS# 128-13-2); (M+HCOO)- 173637 2434 58375 240540 1109189 341773 304856 614179 3001 268364 6529 243807 21644 159848 27713 14570 1430039 1439972 112848 91713 34414 1523190 1225792 789800 1385332 336848 204559 17985 1693082 1615541 179302 18329 190037 25460 29915 184621 4086 317372 1277628 627461 223742 29483 1909 662856 777245 25077 356861 133972 1007427 URSODIOL (CAS# 128-13-2); (M-H)- 82929 82712 992729 253671 82052 74897 140161 58042 62109 44767 66194 48333 36847 66726 68995 303890 302265 197209 130822 107494 67028 342676 54022 253865 172127 281123 542561 312922 79652 379362 330865 346483 60497 218506 97768 87477 314737 68137 72134 280789 141828 647119 159264 67975 151800 161751 136434 89727 694012 211317 VALINE (CAS# 72-18-4); (M-H)- 72782 8940 46528 66578 15148 92681 32163 27131 43681 24121 25491 30421 77022 31579 15207 149447 83964 18496 88214 23108 38806 36230 38131 18875 17667 48692 23224 1842 11587 32171 13810 79952 57841 10878 19190 27187 XANTHINE (CAS# 69-89-6); (M-H)- 241282 94405 49105 244671 207237 139713 1563912 32764 569417 32645 143571 190447 683686 8088 697721 680321 650922 557129 559270 256384 206801 63635 178888 462410 76116 169326 220095 469000 229526 129002 3139951 304300 166153 131945 288710 309372 1015740 1397385 547089 1329662 223540 321526 402145 537997 214992 218891 XANTHOSINE (CAS# 146-80-5); (M-H)- 164350 17658 61266 3230 7386 19920 14200 35209 22722 19605 4382 1142 19424 15748 7546 22478 61680 21952 7007 XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)- 68716 10456 XANTHURENIC ACID (CAS# 59-00-7); (M-H)- 3196 12602 4758 8779 37268 22872 46048 14312 17662 19161 4538 31708 8225 11722 XYLOSE (CAS# 58-86-6); (M+HCOO)- 108541 1913 234616 91869 1026913 357010 659494 720261 218107 683963 98640 400065 250813 331856 192569 144634 585672 1337251 148922 136683 130361 189383 460745 54719 61350 176521 3403 170674 112494 109076 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 625341 404540 438109 516926 465740 422659 544955 481813 943283 887657 780915 637880 519386 532544 444327 523497 708009 783966 888629 901641 731175 864338 1044536 908160 764880 767629 565720 820918 762203 655138 823754 813785 635642 578944 1149413 726123 834854 565192 706000 774332 763878 717757 908684 897384 674303 719198 778236 601458 799443 774005 489268 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 1819883 2300941 2731297 2777686 2531893 2663330 2553896 2550472 4043728 4120001 3737062 3089909 2958241 2714444 2409584 2772249 3794808 3639088 3775463 3882318 2710101 4005919 3349679 4125845 3304204 3975241 2877602 3136352 3570772 2772881 3345158 3545259 3358465 3338868 3989678 2867346 3940256 2957987 3331738 3969926 3026198 3702795 3504811 3678683 3459676 1542027 3840835 3398509 3640205 3449972 2699527 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 130.0633 4.417 47 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 158.0336 0.81 1149667 1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- 281.112 3.254 27476 1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- 182.0448 2.198 69726 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- 356.2893 22.653 5283468 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 188.1394 13.566 6991989 11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 346.2175 15.529 440707 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 346.2115 15.388 440707 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 495.3323 22.274 460602 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 495.333 22.305 460602 17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- 330.2228 17.845 6238 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 481.3165 22.654 9547068 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (CAS# 1032-65-1); (2M-H)- 307.0578 0.57 13945 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 267.0953 1.834 187790 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- 267.0942 2.025 187790 2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- 252.0858 2.034 65058 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 252.0872 2.067 65058 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- 164.0675 0.81 439268 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 164.0671 0.742 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 118.0629 3.517 853180 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 150.0343 3.356 11427 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 146.0581 3.543 12046 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 130.0261 2.309 643798 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- 160.0371 1.009 71 20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 551.3991 22.867 24779473 3'-CMP (CAS# 63-37-6); (M-H)- 323.0537 0.797 66535 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (2M-H)- 182.0573 3.509 9378 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 182.058 3.799 9378 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 180.0425 3.09 979 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- 172.0364 0.883 439774 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 162.0518 1.629 1662 3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)- 224.0795 1.076 11811 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 152.0471 7.632 12122 3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M-H)- 198.0543 2.171 736172 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 146.0581 3.542 12284 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 160.0726 5.678 12292 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- 132.0525 0.684 111 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 318.2581 20.803 92787 3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)- 368.1679 15.454 12594 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- 145.0728 1.646 18189 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 231.0201 2.412 83939 4-COUMARATE (CAS# 501-98-4); (M-H)- 164.0468 6.899 637542 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 189.0426 4.947 3845 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 138.0308 4.025 135 4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 152.0467 4.741 127 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 130.063 4.825 70 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 130.063 4.825 70 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 167.0219 8.469 101532566 4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 155.0221 5.36 3505109 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 139.027 7.018 980 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 183.0529 1.893 6723 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 251.1013 2.623 439182 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 297.0891 4.488 439176 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 297.0909 4.499 439176 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 117.0788 0.794 138 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- 361.1102 12.363 119560 5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)- 191.06 4.062 1826 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)- 220.0839 1.625 439280 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 220.0831 1.708 439280 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 459.1909 3.565 9825434 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 129.0424 1.194 7405 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 160.0726 5.679 385 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)- 139.0273 1.672 72924 ACETOACETATE (CAS# 541-50-4); (M-H)- 102.0323 2.884 96 ADENOSINE (CAS# 58-61-7); (M+CL)- 267.0954 1.834 60961 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 267.0988 1.69 60961 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 347.0652 1.012 6083 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 146.0581 3.542 196 ADP-RIBOSE (CAS# ); (M-H)- 559.0692 0.866 33576 ALLANTOIN (CAS# 97-59-6); (M-H)- 158.0433 0.684 439714 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 180.064 1.627 439507 ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- 260.0279 0.749 123912 ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 146.0221 0.906 51 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 278.2225 22.86 5280934 ARABITOL (CAS# 7643-75-6); (M+CL)- 152.0678 0.844 94154 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 312.3013 23.409 10467 ARACHIDONATE (CAS# 506-32-1); (M-H)- 304.2406 22.713 444899 ASPARAGINE (CAS# 70-47-3); (M-H)- 132.0525 0.684 6267 ASPARTATE (CAS# 56-84-8); (M-H)- 133.038 0.666 5960 ASPIRIN (CAS# 50-78-2); (M-H)- 180.0408 8.073 2244 AZELAIC ACID (CAS# 123-99-9); (M-H)- 188.1049 10.707 2266 BEHENIC ACID (CAS# 112-85-6); (M-H)- 340.3341 24.095 8215 BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- 106.0412 4.688 240 BETA-ALANINE (CAS# 107-95-9); (M-H)- 89.0477 0.692 239 BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 342.1163 0.714 439186 BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] 342.1154 0.994 439186 BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 342.1172 0.693 439186 BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- 342.1173 0.63 439186 BIOTIN (CAS# 58-85-5); (M-H)- 244.0864 6.246 11966127 BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)- 498.1132 0.869 90657696 BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65-8); (M-H)- 355.1785 20.176 4343849 BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 246.1595 4.944 2733284 BOC-PHE-OH (CAS# 13734-34-4); (M-H)- 265.132 15.489 77857 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 643.5009 23.197 46891735 CAFFEATE (CAS# 331-39-5); (M-H)- 180.0407 5.378 1549111 CARNOSINE (CAS# 305-84-0); (M-H)- 226.1051 0.668 439224 CATECHOL (CAS# 120-80-9); (M-H)- 110.0368 2.665 289 CELLOBIOSE (CAS# 528-50-7); (M+CL)- 342.1172 0.693 294 CHOLATE (CAS# 81-25-4); (2M-H)- 408.289 20.322 221493 CHOLATE (CAS# 81-25-4); (M+CL)- 408.2881 20.322 221493 CHOLATE (CAS# 81-25-4); (M-H)- 408.2884 20.322 221493 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- 183.0653 0.682 1014 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 310.2871 23.262 5282768 CIS-ACONITATE (CAS# 585-84-2); (M-H)- 174.0166 1.247 643757 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 282.2565 22.934 5282761 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 219.1122 3.905 688597 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 219.1125 3.904 688597 CITRAMALATE (CAS# 2306-22-1); (M-H)- 148.0368 1.406 441696 CITRATE (CAS# 77-92-9); (M-H)- 192.0272 1.029 311 CITRULLINE (CAS# 372-75-8); (M-H)- 175.0945 0.676 9750 CMP (CAS# 63-37-6); (M-H)- 323.0537 0.797 6131 CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 346.2169 15.709 5753 CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 346.2115 15.388 5753 CORTISOL (CAS# 50-23-7); (M+HCOO)- 362.2101 13.741 5754 CORTISONE (CAS# 53-06-5); (M+HCOO)- 360.1941 13.364 222786 CREATINE (CAS# 57-00-1); (M-H)- 131.0689 0.694 586 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 142.0994 10.707 15091 CYSTATHIONINE (CAS# 56-88-2); (M-H)- 222.0695 0.725 439258 CYSTINE (CAS# 56-89-3); (M-H)- 240.024 0.674 6857538 CYTIDINE (CAS# 65-46-3); (M+CL)- 243.0874 0.706 6175 CYTIDINE (CAS# 65-46-3); (M-H)- 243.0841 0.682 6175 CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M-H)- 488.1121 0.773 13804 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 150.0519 0.68 66308 D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- 179.0783 0.713 3034366 D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- 179.0783 0.713 439213 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- 260.0279 0.738 5958 D-LYXOSE (CAS# 1114-34-7); (M+CL)- 150.0525 0.702 65550 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 150.0514 0.678 65550 D-LYXOSE (CAS# 1114-34-7); (M-H)- 150.0515 0.714 65550 D-ORNITHINE (CAS# 348-66-3); (M-H)- 132.0886 0.668 6262 D-PSICOSE (CAS# 551-68-8); (M+CL)- 180.0636 0.674 90008 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 180.0636 0.674 90008 DAMP (CAS# 653-63-4); (M-H)- 331.0714 1.215 12599 DECANOATE (CAS# 334-48-5); (M-H)- 172.1457 19.823 2969 DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 174.0165 0.708 210328 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 174.0163 0.921 210328 DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 251.1025 1.868 13730 DEOXYADENOSINE (CAS# 16373-93-6); (M+HCOO)- 251.1036 1.898 13730 DEOXYADENOSINE (CAS# 16373-93-6); (M-H)- 251.1031 1.632 13730 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 392.2931 21.683 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 392.2933 21.697 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 392.2936 21.696 222528 DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 227.0913 0.972 13711 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 227.0921 0.931 13711 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 228.076 1.645 13712 DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 228.0736 1.664 13712 DEOXYURIDINE (CAS# 951-78-0); (M-H)- 228.074 1.671 13712 DETHIOBIOTIN (CAS# 533-48-2); (2M-H)- 214.1303 8.068 445027 DGDP (CAS# 653-63-4); (M-H)- 427.0327 1.215 439220 DGMP (CAS# 902-04-5); (M-H)- 347.0652 1.08 6994968 DIACETYL (CAS# 431-03-8); (M+HCOO)- 86.0363 2.043 650 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (2M-H)- 184.0364 0.965 85782 DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- 184.0385 1.204 85782 DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 328.2409 22.706 445580 DUMP (CAS# 964-26-1); (M-H)- 308.0386 1.024 65063 EDTA (CAS# 60-00-4); (M-H)- 292.0911 0.99 6049 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 282.2565 22.934 637517 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 480.3456 19.798 115196 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 480.3463 19.797 115196 ERUCIC ACID (CAS# 112-86-7); (M-H)- 338.3193 23.664 5281116 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 132.0413 2.633 11756 FERULATE (CAS# 1135-24-6); (M-H)- 194.0587 7.933 445858 FOLIC ACID (CAS# 59-30-3); (M-H)- 441.1434 5.871 6037 FRUCTOSE (CAS# 57-48-7); (M+CL)- 180.0636 0.674 5984 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 180.0637 0.681 5984 FUMARATE (CAS# 110-17-8); (M-H)- 116.0115 1.259 444972 GALACTARATE (CAS# 526-99-8); (M-H)- 210.0358 0.763 3037582 GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+CL)- 182.0784 0.674 11850 GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 194.0409 0.69 84740 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 86.0362 2.042 7302 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 250.0623 1.067 123938 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 278.2225 22.86 5280933 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 346.1415 8.482 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 346.1425 8.484 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 346.1419 8.482 6466 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 210.0389 0.837 33037 GLUCARIC ACID (CAS# 87-73-0); (M-H)- 210.036 0.751 33037 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 196.0568 0.68 10690 GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 180.0648 0.694 5793 GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] 180.0629 0.631 5793 GLUCOSE (CAS# 50-99-7); (M+CL)- 180.0636 0.674 5793 GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- 260.0279 0.749 65533 GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)- 194.0423 0.766 94715 GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 194.0409 0.69 94715 GLUTAMATE (CAS# 56-86-0); (M-H)- 147.0525 0.672 33032 GLUTAMINE (CAS# 56-85-9); (M-H)- 146.0683 0.653 5961 GLUTARATE (CAS# 110-94-1); (M-H)- 132.0417 2.042 743 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1521 1.353 124886 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 90.0312 1.63 79014 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 172.0137 0.825 2526 GLYCINE (CAS# 56-40-6); (M-H)- 75.0322 0.707 750 GLYCOCHOLATE (CAS# 475-31-0); (2M-H)- 465.3055 18.963 10140 GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 465.3099 18.865 10140 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- 433.3196 21.594 115245 GUANINE (CAS# 73-40-5); (M-H)- 151.0489 0.884 764 GUANOSINE (CAS# 118-00-3); (M+CL)- 283.0944 1.824 6802 GUANOSINE (CAS# 118-00-3); (M-H)- 283.0912 1.822 6802 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 363.0581 0.994 6804 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 270.2555 22.97 10465 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 396.3969 25.694 10469 HIPPURATE (CAS# 495-69-2); (M-H)- 179.0579 4.806 464 HOMOSERINE (CAS# 672-15-1); (M-H)- 119.0582 0.67 12647 HOMOVANILLATE (CAS# 306-08-1); (2M-H)- 182.0587 5.88 1738 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 392.2954 22.872 5283820 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 136.0381 1.098 790 INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O] 295.1051 0.826 441564 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M-H)- 159.0683 3.427 800 INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+CL)- 174.0792 5.376 397 INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)- 203.0569 10.52 803 INOSINE (CAS# 58-63-9); (M+CL)- 268.0815 1.789 6021 INOSINE (CAS# 58-63-9); (M-H)- 268.082 1.815 6021 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)- 348.049 1 8582 ISOCITRATE (CAS# 320-77-4); (M-H)- 192.0272 0.82 5318532 ISOLEUCINE (CAS# 73-32-5); (M-H)- 131.0945 1.624 6306 ITACONATE (CAS# 97-65-4); (M-H)- 130.0264 1.782 811 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 210.1251 13.128 5281166 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 210.1259 13.127 5281166 KYNURENINE (CAS# 343-65-7); (M-H)- 208.084 2.144 161166 L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)- 119.0574 0.67 99289 L-ARGININE (CAS# 74-79-3); (M-H)- 174.1107 0.654 6322 L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 176.1053 0.645 16217579 L-FUCOSE 1-PHOSPHATE (CAS# 16562-58-6); (M-H)- 244.0331 0.672 439871 L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O] 196.0579 0.682 152304 L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 196.0582 0.732 152304 L-GULONATE (CAS# 6322-07-2); (M-H)- 196.0576 0.678 152304 L-HISTIDINE (CAS# 71-00-1); (M-H)- 155.0689 0.642 6274 L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 141.0891 0.687 165271 L-ORNITHINE (CAS# 70-26-8); (M-H)- 132.0886 0.668 6262 L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- 164.0679 0.81 25310 L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 164.0671 0.718 25310 L-RHAMNOSE (CAS# 10030-85-0); (M-H)- 164.067 0.931 25310 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 206.0847 3.627 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 138.0446 5.349 227 LACTOSE (CAS# 63-42-3); (M+CL)- 342.1172 0.693 440995 LACTOSE (CAS# 63-42-3); (M-H)- 342.1162 0.666 440995 LANTHIONINE (CAS# 3183-08-2); (M-H)- 208.0535 0.709 102950 LAURIC ACID (CAS# 143-07-7); (M-H)- 200.1777 21.759 3893 LEUCINE (CAS# 328-39-2); (M-H)- 131.0945 1.639 6106 LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 336.229 20.859 5280492 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 368.3671 24.753 11197 LINOLEATE (CAS# 60-33-3); (M-H)- 280.2408 22.729 5280450 LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 376.2981 22.286 9903 LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)- 376.2947 22.256 9903 LUMICHROME (CAS# 1086-80-2); (M-H)- 242.0816 10.897 5326566 LYSINE (CAS# 56-87-1); (M-H)- 146.1048 0.621 5962 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 134.0228 0.761 222656 MALATE (CAS# 97-67-6); (M-H)- 134.0215 0.748 222656 MALEAMATE (CAS# 557-24-4); (M-H)- 115.0264 0.831 5280451 MALEIC ACID (CAS# 110-16-7); (M-H)- 116.0114 0.785 444266 MALTOSE (CAS# 69-79-4); (M+CL)- 342.1172 0.693 439186 MALTOSE (CAS# 69-79-4); (M+HCOO)- 342.1158 0.625 439186 MANDELIC ACID (CAS# 611-71-2); (M-H)- 152.0465 6.79 11914 MANNITOL (CAS# 69-65-8); (M+CL)- 182.0784 0.674 6251 MANNITOL (CAS# 69-65-8); (M-H)- 182.0779 0.667 6251 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- 260.0279 0.749 439198 MELIBIOSE (CAS# 585-99-9); (M+CL)- 342.1176 0.693 440658 MELIBIOSE (CAS# 585-99-9); (M+HCOO)- 342.1173 0.625 440658 METHIONINE (CAS# 63-68-3); (M-H)- 149.0505 1.017 6137 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 194.0782 0.665 94214 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 194.0772 0.679 94214 METHYLMALONATE (CAS# 516-05-2); (M-H)- 118.027 1.319 487 MEVALONIC ACID (CAS# 674-26-0); (M-H)- 148.0726 1.638 439230 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 146.0581 3.542 73917 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 228.209 22.456 11005 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 226.1928 22.008 5281119 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 221.0906 0.691 446101 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)- 221.0879 0.721 446101 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 221.0906 0.691 53477792 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 246.1 7.942 439917 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- 189.0633 1.328 185 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 191.0616 4.066 448580 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 147.0525 0.672 65249 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 131.0579 1.508 88064 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 175.0481 0.971 65065 N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- 324.0452 3.626 12035 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 173.105 7.169 75619 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 207.088 7.723 74839 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 221.0906 0.691 35717 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 117.0423 0.87 1097 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 309.1045 0.628 439197 N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M-H)- 174.0627 0.74 99715 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)- 188.1149 0.908 92907 N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)- 279.1313 3.486 13998612 N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)- 279.1336 4.111 13998612 N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- 179.063 4.57 7533 N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)- 125.0468 3.389 4362 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 147.0525 0.672 4376 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)- 339.2771 22.545 6436908 N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M-H)- 203.116 7.92 92180 NAD (CAS# 53-84-9); (M-H)- 663.105 0.748 5893 NERVONIC ACID (CAS# 506-37-6); (M-H)- 366.3507 24.157 5281120 NICOTINATE (CAS# 59-67-6); (M-H)- 123.032 0.89 938 NORLEUCINE (CAS# 327-57-1); (M-H)- 131.0945 1.639 21236 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M-H)- 185.0077 1.034 106 O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)- 185.0077 1.034 68841 O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- 219.0762 0.976 439406 OLEIC ACID (CAS# 112-80-1); (M-H)- 282.2565 22.934 445639 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 216.1726 17.019 79034 OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- 361.1102 12.363 145900 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 289.1267 1.076 7018721 OROTATE (CAS# 65-86-1); (M-H)- 156.016 0.872 967 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1521 1.353 65359 P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-H)- 327.0958 2.257 83944 PALATINOSE (CAS# 343336-76-5); (M+CL)- 342.1176 0.693 439559 PALATINOSE (CAS# 343336-76-5); (M+HCOO)- 342.1173 0.625 439559 PALMITATE (CAS# 57-10-3); (M-H)- 256.2405 22.853 985 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 254.2248 22.584 445638 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 219.1092 3.264 6613 PANTOTHENATE (CAS# 79-83-4); (M-H)- 219.1107 3.27 6613 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 102.0678 2.139 7991 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 136.0525 3.799 999 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 136.0525 3.842 999 PHENYLALANINE (CAS# 63-91-2); (M-H)- 165.079 2.531 6140 PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 164.0466 5.421 997 PHYTANATE (CAS# 14721-66-5); (M-H)- 312.3013 23.385 10380830 PICOLINIC ACID (CAS# 98-98-6); (M-H)- 123.032 0.858 1018 PINITOL (CAS# 10284-63-6); (M+CL)- 194.0782 0.665 164619 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- 162.0998 0.557 83228 PROPENOATE (CAS# 79-10-7); (M-H)- 72.0218 1.154 6581 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 352.226 16.934 5280360 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 352.224 16.755 5280360 PTERIN (CAS# 2236-60-4); (M-H)- 163.0505 1.536 73000 PURINE (CAS# 120-73-0); (M-H)- 120.0426 1.295 1044 PYRUVATE (CAS# 127-17-3); (M-H)- 88.0169 0.739 1060 QUINATE (CAS# 77-95-2); (M-H)- 192.0619 0.703 6508 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 302.2436 22.389 79050 RAFFINOSE (CAS# 512-69-6); (M+CL)- 504.1696 0.727 439242 RAFFINOSE (CAS# 512-69-6); (M+HCOO)- 504.1688 0.891 439242 RETINOATE (CAS# 302-79-4); (M-H)- 300.2119 22.284 444795 RIBITOL (CAS# 488-81-3); (M+CL)- 152.0696 0.88 94154 RIBOFLAVIN (CAS# 83-88-5); (M+CL)- 376.14 7.594 493570 RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- 376.1394 7.594 493570 RIBOFLAVIN (CAS# 83-88-5); (M-H)- 376.1388 7.595 493570 RIBOSE (CAS# 50-69-1); (M+CL)- 150.0525 0.701 5779 RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 230.0186 0.741 439167 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- 384.1234 1.659 439155 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 384.1219 1.518 439155 S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)- 179.0248 0.724 193653 SALICYLATE (CAS# 69-72-7); (M-H)- 138.0319 7.732 338 SALICYLURIC ACID (CAS# 487-54-7); (M-H)- 195.0541 6.213 10253 SEBACIC ACID (CAS# 111-20-6); (M-H)- 202.1208 12.93 5192 SERINE (CAS# 56-45-1); (M-H)- 105.0427 0.65 617 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 257.1048 0.681 439285 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 257.1026 0.927 439285 SORBITOL (CAS# 50-70-4); (M+CL)- 180.0628 0.674 5780 SPHINGANINE (CAS# 764-22-7); (M+HCOO)-[-H2O] 301.3008 22.452 644260 STACHYOSE (CAS# 54261-98-2); (M+CL)- 666.222 0.715 439531 STACHYOSE (CAS# 54261-98-2); (M+HCOO)- 666.22 0.973 439531 STACHYOSE (CAS# 54261-98-2); (M-H)- 666.2208 0.984 439531 STEARATE (CAS# 57-11-4); (M-H)- 284.2719 23.19 5281 SUBERIC ACID (CAS# 505-48-6); (M-H)- 174.089 8.233 10457 SUCCINATE (CAS# 110-15-6); (M-H)- 118.027 1.319 1110 SUCROSE (CAS# 57-50-1); (M+CL)- 342.1172 0.693 5988 SUCROSE (CAS# 57-50-1); (M+HCOO)- 342.1158 0.635 5988 TAURINE (CAS# 107-35-7); (M-H)- 125.0148 0.656 1123 TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)- 483.302 21.698 439763 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 119.058 0.672 6288 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 370.2345 16.755 5283137 THYMIDINE (CAS# 50-89-5); (M+CL)- 242.0906 2.735 5789 THYMIDINE (CAS# 50-89-5); (M+HCOO)- 242.0903 2.747 5789 THYMIDINE (CAS# 50-89-5); (M-H)- 242.09 2.756 5789 THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M-H)- 322.0573 1.552 12803287 THYMINE (CAS# 65-71-4); (M-H)- 126.043 1.708 1135 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+CL)- 362.1721 1.653 638678 THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M-H)- 362.1732 1.613 638678 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 174.0166 1.068 444212 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 282.2565 22.934 5281127 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 176.0323 1.202 14925 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 176.0309 1.153 14925 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 214.1934 22.158 12530 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 204.089 3.625 6305 TYROSINE (CAS# 60-18-4); (M-H)- 181.0738 1.347 6057 UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- 566.0549 1.628 44134987 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 566.0549 1.628 53477679 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- 607.0795 1.615 445675 UNK_112.0158@1.1233789 112.0158 1.123 UNK_1129.5281@8.504318 1129.5281 8.504 UNK_113.9946@0.75600284 113.9946 0.756 UNK_115.9948@0.7666334 115.9948 0.767 UNK_118.027@1.3185407 118.027 1.319 UNK_118.0622@2.5160377 118.0622 2.516 UNK_125.0227@1.0363531 125.0227 1.036 UNK_129.0424@1.0759834 129.0424 1.076 UNK_130.0268@0.7484219 130.0268 0.748 UNK_131.0945@1.6398418 131.0945 1.64 UNK_131.9753@0.52300006 131.9753 0.523 UNK_134.0215@0.739355 134.0215 0.739 UNK_135.0542@3.9061863 135.0542 3.906 UNK_136.0364@0.7111713 136.0364 0.711 UNK_136.0383@1.0785222 136.0383 1.079 UNK_138.0319@8.232623 138.0319 8.233 UNK_138.0446@5.348761 138.0446 5.349 UNK_148.0368@1.380928 148.0368 1.381 UNK_150.0515@0.69623667 150.0515 0.696 UNK_152.0334@1.2943257 152.0334 1.294 UNK_159.986@0.55244464 159.986 0.552 UNK_161.0478@4.9468975 161.0478 4.947 UNK_161.0505@1.8518721 161.0505 1.852 UNK_163.0633@4.947344 163.0633 4.947 UNK_165.079@2.5263324 165.079 2.526 UNK_1671.099@18.386717 1671.099 18.387 UNK_1671.099@18.583702 1671.099 18.584 UNK_168.0283@1.0311911 168.0283 1.031 UNK_171.0807@15.714636 171.0807 15.715 UNK_174.0995@1.4754716 174.0995 1.475 UNK_176.976@0.5400005 176.976 0.54 UNK_179.0583@4.814519 179.0583 4.815 UNK_180.0648@4.3584514 180.0648 4.358 UNK_181.0738@1.3469626 181.0738 1.347 UNK_182.058@3.795831 182.058 3.796 UNK_183.053@1.8928604 183.053 1.893 UNK_186.0508@3.517199 186.0508 3.517 UNK_186.0951@0.75232285 186.0951 0.752 UNK_188.0503@0.93294835 188.0503 0.933 UNK_188.1049@10.707127 188.1049 10.707 UNK_188.1159@2.9840841 188.1159 2.984 UNK_189.0635@1.3057865 189.0635 1.306 UNK_190.0495@1.3461497 190.0495 1.346 UNK_191.0616@4.064208 191.0616 4.064 UNK_192.0272@1.0288895 192.0272 1.029 UNK_192.1151@12.97166 192.1151 12.972 UNK_194.0342@0.893053 194.0342 0.893 UNK_194.0582@7.932129 194.0582 7.932 UNK_195.0898@17.314945 195.0898 17.315 UNK_196.0575@0.68914044 196.0575 0.689 UNK_196.0597@4.0901604 196.0597 4.09 UNK_196.11@15.698163 196.11 15.698 UNK_196.8182@0.78984964 196.8182 0.79 UNK_196.8183@0.9001502 196.8183 0.9 UNK_196.8184@0.9212874 196.8184 0.921 UNK_196.818@0.74397326 196.818 0.744 UNK_200.0445@0.78095526 200.0445 0.781 UNK_200.0799@1.6261389 200.0799 1.626 UNK_200.9762@0.67860764 200.9762 0.679 UNK_201.1014@3.908011 201.1014 3.908 UNK_202.0453@0.99881655 202.0453 0.999 UNK_202.1317@2.9338446 202.1317 2.934 UNK_204.0573@1.483697 204.0573 1.484 UNK_204.09@3.6247847 204.09 3.625 UNK_204.1098@1.3401877 204.1098 1.34 UNK_205.0738@8.419993 205.0738 8.42 UNK_206.0321@5.3498874 206.0321 5.35 UNK_206.0886@0.68572396 206.0886 0.686 UNK_207.0533@4.94602 207.0533 4.946 UNK_208.1461@16.465622 208.1461 16.466 UNK_210.1259@13.126564 210.1259 13.127 UNK_214.1317@1.7944683 214.1317 1.794 UNK_214.8963@0.96675694 214.8963 0.967 UNK_216.0403@0.67431086 216.0403 0.674 UNK_216.1469@2.3540273 216.1469 2.354 UNK_217.1038@0.7312573 217.1038 0.731 UNK_218.0386@0.6956593 218.0386 0.696 UNK_218.1252@1.5381533 218.1252 1.538 UNK_218.1264@2.562523 218.1264 2.563 UNK_219.1107@3.2701015 219.1107 3.27 UNK_219.1124@3.9040418 219.1124 3.904 UNK_220.8532@1.4004925 220.8532 1.4 UNK_220.8536@1.2026694 220.8536 1.203 UNK_221.0689@7.6731014 221.0689 7.673 UNK_222.1003@3.642985 222.1003 3.643 UNK_222.1621@20.255728 222.1621 20.256 UNK_222.9541@24.581963 222.9541 24.582 UNK_223.0093@8.221107 223.0093 8.221 UNK_223.0225@5.346841 223.0225 5.347 UNK_226.0722@3.6262147 226.0722 3.626 UNK_228.1469@3.4732723 228.1469 3.473 UNK_228.2091@22.456545 228.2091 22.457 UNK_229.035@4.9595776 229.035 4.96 UNK_230.0762@3.547858 230.0762 3.548 UNK_230.163@3.6641927 230.163 3.664 UNK_231.0197@2.4820187 231.0197 2.482 UNK_231.1191@0.76197696 231.1191 0.762 UNK_231.1216@1.4230534 231.1216 1.423 UNK_232.1003@0.7370596 232.1003 0.737 UNK_232.1036@0.8966949 232.1036 0.897 UNK_232.1406@1.5743774 232.1406 1.574 UNK_232.1423@3.0730102 232.1423 3.073 UNK_233.0664@2.5269947 233.0664 2.527 UNK_234.0406@0.96333265 234.0406 0.963 UNK_234.0831@0.74111354 234.0831 0.741 UNK_234.162@19.705328 234.162 19.705 UNK_235.0091@0.67083627 235.0091 0.671 UNK_235.0091@1.115198 235.0091 1.115 UNK_235.0842@9.58612 235.0842 9.586 UNK_235.8737@0.7847484 235.8737 0.785 UNK_236.1045@12.9568615 236.1045 12.957 UNK_236.1159@3.8168945 236.1159 3.817 UNK_237.0793@0.7523887 237.0793 0.752 UNK_242.0904@2.7244487 242.0904 2.724 UNK_242.9877@0.9872841 242.9877 0.987 UNK_243.1835@15.790241 243.1835 15.79 UNK_244.0701@1.3624924 244.0701 1.362 UNK_244.1307@8.380523 244.1307 8.381 UNK_244.1786@6.279755 244.1786 6.28 UNK_245.0506@11.986329 245.0506 11.986 UNK_245.1374@2.5954356 245.1374 2.595 UNK_245.9718@0.5554229 245.9718 0.555 UNK_246.1212@1.5411114 246.1212 1.541 UNK_246.1215@3.1210442 246.1215 3.121 UNK_246.1221@2.9052231 246.1221 2.905 UNK_247.0458@4.805129 247.0458 4.805 UNK_248.1031@0.7333861 248.1031 0.733 UNK_250.0566@2.5349104 250.0566 2.535 UNK_250.0982@1.6126493 250.0982 1.613 UNK_251.0975@0.76913667 251.0975 0.769 UNK_251.1521@21.083118 251.1521 21.083 UNK_254.0254@5.8582015 254.0254 5.858 UNK_254.1368@0.6929804 254.1368 0.693 UNK_254.1513@15.745269 254.1513 15.745 UNK_254.2248@22.584272 254.2248 22.584 UNK_256.2403@22.85299 256.2403 22.853 UNK_256.9665@1.6366347 256.9665 1.637 UNK_257.0679@0.6912605 257.0679 0.691 UNK_258.0831@2.4576738 258.0831 2.458 UNK_258.085@1.5060424 258.085 1.506 UNK_258.0866@13.0744095 258.0866 13.074 UNK_258.1079@3.5685258 258.1079 3.569 UNK_259.1534@1.573652 259.1534 1.574 UNK_260.1368@3.0398788 260.1368 3.04 UNK_260.1374@3.1161122 260.1374 3.116 UNK_261.1112@3.7717144 261.1112 3.772 UNK_261.126@0.7950007 261.126 0.795 UNK_262.0823@15.694888 262.0823 15.695 UNK_264.0377@4.8030567 264.0377 4.803 UNK_264.0469@0.79730594 264.0469 0.797 UNK_264.075@1.5995884 264.075 1.6 UNK_264.1123@5.222535 264.1123 5.223 UNK_264.1364@19.026125 264.1364 19.026 UNK_265.0417@4.438114 265.0417 4.438 UNK_265.2967@22.832907 265.2967 22.833 UNK_265.9978@1.0384474 265.9978 1.038 UNK_266.1264@2.4610062 266.1264 2.461 UNK_267.0912@0.7788014 267.0912 0.779 UNK_267.9967@13.834675 267.9967 13.835 UNK_268.0812@1.8030959 268.0812 1.803 UNK_268.1506@0.72907627 268.1506 0.729 UNK_268.1531@1.3465341 268.1531 1.347 UNK_269.8078@0.6557779 269.8078 0.656 UNK_272.0715@19.82935 272.0715 19.829 UNK_272.2354@22.432371 272.2354 22.432 UNK_273.0936@2.7828572 273.0936 2.783 UNK_273.0938@2.9862297 273.0938 2.986 UNK_273.9663@0.54927623 273.9663 0.549 UNK_274.0157@5.295831 274.0157 5.296 UNK_274.0794@0.89469635 274.0794 0.895 UNK_274.1185@18.882132 274.1185 18.882 UNK_275.1467@2.024709 275.1467 2.025 UNK_276.0396@4.0664515 276.0396 4.066 UNK_278.1135@13.127502 278.1135 13.128 UNK_278.1276@5.3387895 278.1276 5.339 UNK_278.1529@19.98348 278.1529 19.983 UNK_278.2248@22.531216 278.2248 22.531 UNK_279.129@0.80680007 279.129 0.807 UNK_279.1311@0.97604465 279.1311 0.976 UNK_280.047@1.084984 280.047 1.085 UNK_280.1057@3.9627326 280.1057 3.963 UNK_280.2408@22.729235 280.2408 22.729 UNK_281.028@6.356158 281.028 6.356 UNK_282.1078@4.322843 282.1078 4.323 UNK_282.108@3.910407 282.108 3.91 UNK_282.2564@22.93401 282.2564 22.934 UNK_284.1165@23.272923 284.1165 23.273 UNK_284.126@7.898023 284.126 7.898 UNK_284.2719@23.189823 284.2719 23.19 UNK_286.12@10.489837 286.12 10.49 UNK_287.0995@3.8233006 287.0995 3.823 UNK_287.109@2.9770184 287.109 2.977 UNK_287.1826@3.6120243 287.1826 3.612 UNK_287.1841@5.747028 287.1841 5.747 UNK_288.1404@0.9014035 288.1404 0.901 UNK_288.1934@8.120202 288.1934 8.12 UNK_288.23@17.309837 288.23 17.31 UNK_289.0675@3.6280677 289.0675 3.628 UNK_289.1266@0.82875687 289.1266 0.829 UNK_289.1279@0.91670483 289.1279 0.917 UNK_289.1637@3.0239153 289.1637 3.024 UNK_289.9457@0.5559992 289.9457 0.556 UNK_292.0911@0.82440627 292.0911 0.824 UNK_292.1062@4.279048 292.1062 4.279 UNK_293.146@1.8896649 293.146 1.89 UNK_293.8345@0.7320671 293.8345 0.732 UNK_294.0771@0.70463926 294.0771 0.705 UNK_294.1079@6.053194 294.1079 6.053 UNK_294.1212@5.034648 294.1212 5.035 UNK_294.1218@2.8545597 294.1218 2.855 UNK_294.1254@4.001069 294.1254 4.001 UNK_295.104@13.129915 295.104 13.13 UNK_295.8322@0.70768815 295.8322 0.708 UNK_296.1976@22.455687 296.1976 22.456 UNK_296.2352@21.490997 296.2352 21.491 UNK_297.0226@4.955549 297.0226 4.956 UNK_298.0723@5.3494496 298.0723 5.349 UNK_298.083@15.729299 298.083 15.729 UNK_298.1211@12.582571 298.1211 12.583 UNK_298.2508@21.830929 298.2508 21.831 UNK_300.0442@1.0918233 300.0442 1.092 UNK_300.0445@0.77193534 300.0445 0.772 UNK_300.1041@21.756954 300.1041 21.757 UNK_300.2666@22.124735 300.2666 22.125 UNK_302.1585@1.7232558 302.1585 1.723 UNK_302.2251@22.548994 302.2251 22.549 UNK_303.1288@2.5936038 303.1288 2.594 UNK_304.0889@3.2706964 304.0889 3.271 UNK_304.2409@22.712856 304.2409 22.713 UNK_305.0862@2.7457857 305.0862 2.746 UNK_305.1579@1.6022921 305.1579 1.602 UNK_305.92@0.53868353 305.92 0.539 UNK_306.2562@22.87061 306.2562 22.871 UNK_307.0652@1.3570195 307.0652 1.357 UNK_307.0786@3.6409202 307.0786 3.641 UNK_308.2716@23.040562 308.2716 23.041 UNK_309.1059@0.7175965 309.1059 0.718 UNK_309.1434@3.987514 309.1434 3.988 UNK_310.1131@1.5724503 310.1131 1.572 UNK_311.0111@2.530141 311.0111 2.53 UNK_312.1657@6.1379957 312.1657 6.138 UNK_312.1762@22.848534 312.1762 22.849 UNK_312.2304@21.610922 312.2304 21.611 UNK_314.0614@1.9155861 314.0614 1.916 UNK_314.1268@14.193751 314.1268 14.194 UNK_314.2461@19.882835 314.2461 19.883 UNK_315.1412@4.1212316 315.1412 4.121 UNK_315.1416@3.6261926 315.1416 3.626 UNK_316.2612@21.14453 316.2612 21.145 UNK_317.1205@3.0661743 317.1205 3.066 UNK_320.2327@21.787695 320.2327 21.788 UNK_322.2126@22.586014 322.2126 22.586 UNK_324.228@22.858885 324.228 22.859 UNK_326.1188@22.067411 326.1188 22.067 UNK_326.1425@22.456642 326.1425 22.457 UNK_326.1919@23.181728 326.1919 23.182 UNK_327.0956@2.1769333 327.0956 2.177 UNK_327.1332@2.9015584 327.1332 2.902 UNK_328.0957@9.107653 328.0957 9.108 UNK_328.1344@22.456867 328.1344 22.457 UNK_328.2409@22.710102 328.2409 22.71 UNK_328.2604@22.526014 328.2604 22.526 UNK_330.0198@0.75012535 330.0198 0.75 UNK_330.1108@10.48855 330.1108 10.489 UNK_330.112@8.715443 330.112 8.715 UNK_330.241@16.892479 330.241 16.892 UNK_330.254@22.794811 330.254 22.795 UNK_331.0632@13.13033 331.0632 13.13 UNK_331.1037@4.813483 331.1037 4.813 UNK_331.2096@3.8931785 331.2096 3.893 UNK_332.0178@1.3490052 332.0178 1.349 UNK_332.0989@5.2249885 332.0989 5.225 UNK_332.1096@4.4551263 332.1096 4.455 UNK_332.1245@19.024252 332.1245 19.024 UNK_332.1269@5.7464943 332.1269 5.746 UNK_332.1879@16.40397 332.1879 16.404 UNK_332.1989@13.825203 332.1989 13.825 UNK_332.2564@16.966673 332.2564 16.967 UNK_332.273@22.875444 332.273 22.875 UNK_333.1323@5.0862455 333.1323 5.086 UNK_333.1889@2.8591943 333.1889 2.859 UNK_334.0367@5.568654 334.0367 5.569 UNK_334.1002@1.2925471 334.1002 1.293 UNK_334.2109@21.618092 334.2109 21.618 UNK_334.2147@15.2403145 334.2147 15.24 UNK_336.1557@5.71693 336.1557 5.717 UNK_337.1403@10.390638 337.1403 10.391 UNK_340.0654@3.6362622 340.0654 3.636 UNK_340.0842@13.128886 340.0842 13.129 UNK_340.2219@22.429873 340.2219 22.43 UNK_340.2409@22.502483 340.2409 22.502 UNK_341.1246@3.1354146 341.1246 3.135 UNK_342.0406@1.3503104 342.0406 1.35 UNK_342.151@22.654675 342.151 22.655 UNK_344.1329@3.5828013 344.1329 3.583 UNK_344.2037@2.528356 344.2037 2.528 UNK_345.1563@0.8365556 345.1563 0.837 UNK_346.101@13.1284685 346.101 13.128 UNK_346.142@8.4824505 346.142 8.482 UNK_346.1521@0.71633863 346.1521 0.716 UNK_346.1537@13.766931 346.1537 13.767 UNK_346.1555@0.98850924 346.1555 0.989 UNK_346.1624@11.418429 346.1624 11.418 UNK_346.2126@22.628082 346.2126 22.628 UNK_346.2358@16.582285 346.2358 16.582 UNK_347.1676@1.6251634 347.1676 1.625 UNK_348.0411@5.269009 348.0411 5.269 UNK_348.1569@8.896343 348.1569 8.896 UNK_348.2283@22.73254 348.2283 22.733 UNK_349.0892@5.2232065 349.0892 5.223 UNK_349.0951@7.2342277 349.0951 7.234 UNK_349.1719@4.4437017 349.1719 4.444 UNK_350.2439@22.935732 350.2439 22.936 UNK_352.0941@10.489437 352.0941 10.489 UNK_352.1395@2.5299726 352.1395 2.53 UNK_352.1421@2.5378997 352.1421 2.538 UNK_352.2595@23.190237 352.2595 23.19 UNK_354.1504@22.582737 354.1504 22.583 UNK_354.173@22.868143 354.173 22.868 UNK_355.1537@22.487988 355.1537 22.488 UNK_356.143@1.9029448 356.143 1.903 UNK_356.1654@22.870537 356.1654 22.871 UNK_358.0377@0.9003077 358.0377 0.9 UNK_359.0502@0.8201697 359.0502 0.82 UNK_360.1939@13.362193 360.1939 13.362 UNK_362.074@1.9597812 362.074 1.96 UNK_364.0409@1.5969762 364.0409 1.597 UNK_364.0823@0.91371953 364.0823 0.914 UNK_364.1889@22.587212 364.1889 22.587 UNK_365.2218@22.825203 365.2218 22.825 UNK_366.2385@21.808258 366.2385 21.808 UNK_366.2764@22.319838 366.2764 22.32 UNK_366.2766@22.293829 366.2766 22.294 UNK_368.1138@0.6719618 368.1138 0.672 UNK_368.1668@22.772024 368.1668 22.772 UNK_369.2883@22.322618 369.2883 22.323 UNK_370.1291@0.69215596 370.1291 0.692 UNK_370.1824@22.990627 370.1824 22.991 UNK_370.2101@22.65375 370.2101 22.654 UNK_371.077@7.2326503 371.077 7.233 UNK_372.2148@18.898226 372.2148 18.898 UNK_372.2283@22.71609 372.2283 22.716 UNK_373.1332@22.458544 373.1332 22.459 UNK_375.253@17.290897 375.253 17.291 UNK_376.1396@7.591785 376.1396 7.592 UNK_376.1764@7.0456214 376.1764 7.046 UNK_376.1783@7.2046986 376.1783 7.205 UNK_378.0779@10.545107 378.0779 10.545 UNK_378.0938@0.69940364 378.0938 0.699 UNK_378.1517@22.553806 378.1517 22.554 UNK_378.1717@22.738266 378.1717 22.738 UNK_378.2802@22.77445 378.2802 22.774 UNK_380.077@0.82130617 380.077 0.821 UNK_380.0993@4.726676 380.0993 4.727 UNK_380.1655@22.739046 380.1655 22.739 UNK_382.0378@1.0433005 382.0378 1.043 UNK_382.1113@4.4042788 382.1113 4.404 UNK_382.1817@22.92515 382.1817 22.925 UNK_382.202@23.196367 382.202 23.196 UNK_382.2341@19.255548 382.2341 19.256 UNK_383.1096@3.6207366 383.1096 3.621 UNK_384.1795@22.629444 384.1795 22.629 UNK_384.1976@23.194399 384.1976 23.194 UNK_386.1341@3.907946 386.1341 3.908 UNK_386.1918@22.856745 386.1918 22.857 UNK_386.2308@20.210802 386.2308 20.211 UNK_387.0445@0.74317837 387.0445 0.743 UNK_388.164@21.854834 388.164 21.855 UNK_388.2104@10.868823 388.2104 10.869 UNK_390.0593@0.91900647 390.0593 0.919 UNK_390.1998@22.564493 390.1998 22.564 UNK_390.2776@21.177406 390.2776 21.177 UNK_391.1189@1.929516 391.1189 1.93 UNK_391.2476@19.176126 391.2476 19.176 UNK_392.1452@8.144014 392.1452 8.144 UNK_392.2162@22.857956 392.2162 22.858 UNK_392.2936@21.193361 392.2936 21.193 UNK_392.296@22.870216 392.296 22.87 UNK_394.2725@18.865482 394.2725 18.865 UNK_396.228@22.693901 396.228 22.694 UNK_398.0115@5.648717 398.0115 5.649 UNK_398.1236@0.69377476 398.1236 0.694 UNK_398.1764@21.828152 398.1764 21.828 UNK_398.214@17.4885 398.214 17.489 UNK_398.242@22.883839 398.242 22.884 UNK_399.1505@22.583885 399.1505 22.584 UNK_400.1982@23.157825 400.1982 23.158 UNK_400.2443@16.969704 400.2443 16.97 UNK_401.1647@22.878397 401.1647 22.878 UNK_402.0903@1.4019266 402.0903 1.402 UNK_402.1516@22.55767 402.1516 22.558 UNK_402.2028@15.247515 402.2028 15.248 UNK_404.1659@22.703722 404.1659 22.704 UNK_404.1725@22.86384 404.1725 22.864 UNK_404.2576@17.72089 404.2576 17.721 UNK_404.259@17.059683 404.259 17.06 UNK_405.1386@0.98321396 405.1386 0.983 UNK_405.1444@0.82097036 405.1444 0.821 UNK_405.1724@0.7724365 405.1724 0.772 UNK_406.2721@19.988749 406.2721 19.989 UNK_406.2723@18.60022 406.2723 18.6 UNK_406.273@18.190727 406.273 18.191 UNK_408.0729@13.129165 408.0729 13.129 UNK_408.1958@23.014153 408.1958 23.014 UNK_408.2155@13.734727 408.2155 13.735 UNK_408.2379@5.209528 408.2379 5.21 UNK_408.2872@16.593792 408.2872 16.594 UNK_408.2876@17.577068 408.2876 17.577 UNK_408.2885@19.821218 408.2885 19.821 UNK_410.1849@12.248525 410.1849 12.249 UNK_410.1923@22.730392 410.1923 22.73 UNK_410.2138@23.232456 410.2138 23.232 UNK_410.3778@22.82381 410.3778 22.824 UNK_412.2076@22.928886 412.2076 22.929 UNK_412.3556@22.861029 412.3556 22.861 UNK_412.3921@23.059961 412.3921 23.06 UNK_414.0883@13.128455 414.0883 13.128 UNK_414.1155@2.5382771 414.1155 2.538 UNK_414.13@8.482387 414.13 8.482 UNK_414.1985@22.601025 414.1985 22.601 UNK_414.211@5.608318 414.211 5.608 UNK_414.2185@23.022446 414.2185 23.022 UNK_414.2747@22.62093 414.2747 22.621 UNK_415.1088@3.8859942 415.1088 3.886 UNK_415.1452@22.456635 415.1452 22.457 UNK_415.9898@0.7765711 415.9898 0.777 UNK_416.2155@22.732044 416.2155 22.732 UNK_417.2203@3.6658978 417.2203 3.666 UNK_418.2306@22.930979 418.2306 22.931 UNK_419.1364@0.7231143 419.1364 0.723 UNK_420.0545@2.5292003 420.0545 2.529 UNK_420.1236@2.5292733 420.1236 2.529 UNK_420.2468@23.184906 420.2468 23.185 UNK_420.3247@22.836391 420.3247 22.836 UNK_422.1953@14.459968 422.1953 14.46 UNK_422.2097@22.411001 422.2097 22.411 UNK_422.3405@22.736444 422.3405 22.736 UNK_423.1478@16.42674 423.1478 16.427 UNK_423.1481@22.534811 423.1481 22.535 UNK_423.1896@13.395398 423.1896 13.395 UNK_424.1545@22.85622 424.1545 22.856 UNK_424.2674@8.330472 424.2674 8.33 UNK_424.2826@17.545273 424.2826 17.545 UNK_424.2831@17.647947 424.2831 17.648 UNK_424.2832@15.052524 424.2832 15.053 UNK_424.3539@22.926079 424.3539 22.926 UNK_425.1644@22.747013 425.1644 22.747 UNK_425.2054@13.746354 425.2054 13.746 UNK_426.1556@22.456831 426.1556 22.457 UNK_426.3716@22.936415 426.3716 22.936 UNK_427.0736@1.6475508 427.0736 1.648 UNK_427.1805@22.93246 427.1805 22.932 UNK_427.3063@22.72873 427.3063 22.729 UNK_428.1709@22.702532 428.1709 22.703 UNK_428.1894@22.527235 428.1894 22.527 UNK_428.2633@8.044658 428.2633 8.045 UNK_429.0819@2.5293722 429.0819 2.529 UNK_429.1331@5.157706 429.1331 5.158 UNK_429.1952@23.19677 429.1952 23.197 UNK_430.0835@2.5363898 430.0835 2.536 UNK_430.1668@3.6301222 430.1668 3.63 UNK_430.1898@22.925968 430.1898 22.926 UNK_430.2026@2.751841 430.2026 2.752 UNK_430.2061@22.696241 430.2061 22.696 UNK_430.308@21.897337 430.308 21.897 UNK_431.1202@8.481895 431.1202 8.482 UNK_432.1212@3.889171 432.1212 3.889 UNK_432.1682@12.250908 432.1682 12.251 UNK_432.1802@16.445713 432.1802 16.446 UNK_432.1919@18.979189 432.1919 18.979 UNK_432.2028@23.19011 432.2028 23.19 UNK_432.3228@22.374153 432.3228 22.374 UNK_434.1942@22.756392 434.1942 22.756 UNK_434.3398@22.847555 434.3398 22.848 UNK_436.0886@4.9465146 436.0886 4.947 UNK_436.1173@2.5157402 436.1173 2.516 UNK_437.2314@8.375543 437.2314 8.376 UNK_437.232@8.912704 437.232 8.913 UNK_438.1975@22.673365 438.1975 22.673 UNK_438.2478@17.291758 438.2478 17.292 UNK_439.247@8.134231 439.247 8.134 UNK_440.1941@11.789069 440.1941 11.789 UNK_440.1956@12.606815 440.1956 12.607 UNK_440.2153@22.728422 440.2153 22.728 UNK_440.3538@22.767982 440.3538 22.768 UNK_441.1592@22.585144 441.1592 22.585 UNK_441.232@23.068365 441.232 23.068 UNK_441.2583@8.626137 441.2583 8.626 UNK_441.2629@7.7781825 441.2629 7.778 UNK_442.2113@11.67591 442.2113 11.676 UNK_442.2339@13.127576 442.2339 13.128 UNK_442.3637@22.496014 442.3637 22.496 UNK_442.3978@22.847265 442.3978 22.847 UNK_443.1766@22.870234 443.1766 22.87 UNK_443.2741@6.4395967 443.2741 6.44 UNK_444.2267@10.80371 444.2267 10.804 UNK_444.2649@20.321676 444.2649 20.322 UNK_446.1273@2.528009 446.1273 2.528 UNK_446.2152@22.775698 446.2152 22.776 UNK_446.341@22.783915 446.341 22.784 UNK_447.3847@23.82143 447.3847 23.821 UNK_448.1435@18.509823 448.1435 18.51 UNK_448.2789@21.51439 448.2789 21.514 UNK_448.3547@22.902143 448.3547 22.902 UNK_449.2752@3.9262586 449.2752 3.926 UNK_449.3102@17.764446 449.3102 17.764 UNK_449.3148@20.472948 449.3148 20.473 UNK_450.115@0.75764894 450.115 0.758 UNK_450.1704@22.937845 450.1704 22.938 UNK_450.2525@21.696957 450.2525 21.697 UNK_452.1709@22.593344 452.1709 22.593 UNK_452.2781@18.520079 452.2781 18.52 UNK_452.348@22.640484 452.348 22.64 UNK_453.2862@22.277832 453.2862 22.278 UNK_454.1868@22.850353 454.1868 22.85 UNK_454.2929@19.616413 454.2929 19.616 UNK_454.3292@21.837238 454.3292 21.837 UNK_455.2068@22.954319 455.2068 22.954 UNK_455.2134@23.248264 455.2134 23.248 UNK_457.2687@15.865837 457.2687 15.866 UNK_458.1897@22.653324 458.1897 22.653 UNK_458.2328@22.97059 458.2328 22.971 UNK_459.0633@0.9701506 459.0633 0.97 UNK_459.2143@8.904716 459.2143 8.905 UNK_459.2355@7.104447 459.2355 7.104 UNK_460.1184@1.0025687 460.1184 1.003 UNK_460.148@0.71426314 460.148 0.714 UNK_460.2088@22.899311 460.2088 22.899 UNK_460.2305@23.264212 460.2305 23.264 UNK_460.2797@18.975014 460.2797 18.975 UNK_460.2807@21.434486 460.2807 21.434 UNK_462.1785@12.603059 462.1785 12.603 UNK_462.1973@1.359787 462.1973 1.36 UNK_462.2039@22.770496 462.2039 22.77 UNK_463.1849@13.16054 463.1849 13.161 UNK_463.2927@16.480352 463.2927 16.48 UNK_464.215@22.707949 464.215 22.708 UNK_464.2324@18.200628 464.2324 18.201 UNK_464.316@21.045862 464.316 21.046 UNK_465.3101@18.850046 465.3101 18.85 UNK_465.3106@16.456717 465.3106 16.457 UNK_465.3128@19.07763 465.3128 19.078 UNK_466.2467@18.57562 466.2467 18.576 UNK_466.247@20.331608 466.247 20.332 UNK_467.1746@22.737122 467.1746 22.737 UNK_468.2012@14.934474 468.2012 14.934 UNK_468.3087@21.612644 468.3087 21.613 UNK_468.3791@22.916525 468.3791 22.917 UNK_469.1586@2.4240267 469.1586 2.424 UNK_469.1914@22.94062 469.1914 22.941 UNK_469.2886@9.925513 469.2886 9.926 UNK_471.206@23.18973 471.206 23.19 UNK_471.2836@20.314968 471.2836 20.315 UNK_473.181@12.249259 473.181 12.249 UNK_474.1539@10.496102 474.1539 10.496 UNK_474.242@3.5988543 474.242 3.599 UNK_474.2588@18.591377 474.2588 18.591 UNK_474.2598@18.407663 474.2598 18.408 UNK_474.2602@18.192204 474.2602 18.192 UNK_474.26@19.555689 474.26 19.556 UNK_474.3122@22.793991 474.3122 22.794 UNK_474.3309@22.68009 474.3309 22.68 UNK_474.3697@23.101715 474.3697 23.102 UNK_475.2227@22.978085 475.2227 22.978 UNK_476.059@13.1296 476.059 13.13 UNK_476.2629@10.490469 476.2629 10.49 UNK_476.2759@18.26769 476.2759 18.268 UNK_476.2762@17.011463 476.2762 17.011 UNK_476.276@19.336498 476.276 19.336 UNK_476.3838@23.044905 476.3838 23.045 UNK_477.2857@22.043385 477.2857 22.043 UNK_477.2862@22.111696 477.2862 22.112 UNK_478.1876@22.73026 478.1876 22.73 UNK_478.4065@22.988869 478.4065 22.989 UNK_479.3025@22.393051 479.3025 22.393 UNK_479.3035@22.39935 479.3035 22.399 UNK_479.3216@19.443092 479.3216 19.443 UNK_480.2012@22.932964 480.2012 22.933 UNK_480.3732@22.877014 480.3732 22.877 UNK_480.3749@22.957375 480.3749 22.957 UNK_481.3162@22.288025 481.3162 22.288 UNK_481.3173@22.678902 481.3173 22.679 UNK_482.0756@13.129264 482.0756 13.129 UNK_482.1001@0.8693913 482.1001 0.869 UNK_482.1011@0.9983626 482.1011 0.998 UNK_482.1172@8.483053 482.1172 8.483 UNK_482.1853@22.635597 482.1853 22.636 UNK_482.2161@15.9731245 482.2161 15.973 UNK_482.2176@23.19035 482.2176 23.19 UNK_482.2884@20.363678 482.2884 20.364 UNK_484.2043@22.729216 484.2043 22.729 UNK_484.3751@22.476007 484.3751 22.476 UNK_485.2821@7.397152 485.2821 7.397 UNK_486.2186@22.932915 486.2186 22.933 UNK_486.2345@17.529118 486.2345 17.529 UNK_488.235@23.082447 488.235 23.082 UNK_488.2454@18.869337 488.2454 18.869 UNK_488.259@4.9917483 488.259 4.992 UNK_489.1994@18.285124 489.1994 18.285 UNK_489.2796@6.731069 489.2796 6.731 UNK_490.1044@0.8908276 490.1044 0.891 UNK_490.3625@22.833363 490.3625 22.833 UNK_490.3646@22.363144 490.3646 22.363 UNK_491.2116@20.345304 491.2116 20.345 UNK_491.2136@20.360281 491.2136 20.36 UNK_491.2168@20.46966 491.2168 20.47 UNK_491.2509@18.224205 491.2509 18.224 UNK_492.1288@5.158416 492.1288 5.158 UNK_492.1321@3.6244895 492.1321 3.624 UNK_492.2186@21.693666 492.2186 21.694 UNK_492.2697@15.032208 492.2697 15.032 UNK_492.2706@16.367441 492.2706 16.367 UNK_492.2708@17.855463 492.2708 17.855 UNK_492.2709@17.958652 492.2709 17.959 UNK_492.3657@23.094912 492.3657 23.095 UNK_493.2657@20.333042 493.2657 20.333 UNK_493.2666@18.422848 493.2666 18.423 UNK_493.2672@18.575645 493.2672 18.576 UNK_494.3975@23.022062 494.3975 23.022 UNK_495.2661@17.251993 495.2661 17.252 UNK_496.0257@1.2402222 496.0257 1.24 UNK_496.1273@7.2305946 496.1273 7.231 UNK_496.1776@2.4234834 496.1776 2.423 UNK_496.2314@12.198483 496.2314 12.198 UNK_496.3403@18.853554 496.3403 18.854 UNK_496.3655@22.91831 496.3655 22.918 UNK_498.2992@21.93127 498.2992 21.931 UNK_498.3392@10.719884 498.3392 10.72 UNK_499.1083@8.481006 499.1083 8.481 UNK_499.2957@16.064829 499.2957 16.065 UNK_499.2976@17.2077 499.2976 17.208 UNK_500.1471@3.9066105 500.1471 3.907 UNK_500.2279@8.909489 500.2279 8.909 UNK_501.277@13.407082 501.277 13.407 UNK_501.2854@22.118784 501.2854 22.119 UNK_501.2855@22.068283 501.2855 22.068 UNK_502.1834@22.77257 502.1834 22.773 UNK_503.1912@12.607497 503.1912 12.607 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871.5479 24.628 UNK_871.556@24.50092 871.556 24.501 UNK_872.3965@22.722364 872.3965 22.722 UNK_874.4034@22.854877 874.4034 22.855 UNK_874.5546@21.630829 874.5546 21.631 UNK_874.5548@21.702606 874.5548 21.703 UNK_875.2614@22.359642 875.2614 22.36 UNK_875.2667@22.261505 875.2667 22.262 UNK_876.1665@18.171558 876.1665 18.172 UNK_876.1667@18.23284 876.1667 18.233 UNK_878.1802@20.315788 878.1802 20.316 UNK_878.1815@20.174393 878.1815 20.174 UNK_878.1818@18.4965 878.1818 18.497 UNK_878.1822@18.659904 878.1822 18.66 UNK_878.1823@20.336681 878.1823 20.337 UNK_878.1826@20.591856 878.1826 20.592 UNK_878.1827@18.576462 878.1827 18.576 UNK_878.1828@20.330774 878.1828 20.331 UNK_878.1829@20.71802 878.1829 20.718 UNK_878.1833@18.576128 878.1833 18.576 UNK_878.183@18.656895 878.183 18.657 UNK_88.016@0.7763226 88.016 0.776 UNK_881.275@22.316744 881.275 22.317 UNK_884.1246@23.191881 884.1246 23.192 UNK_884.1992@20.587418 884.1992 20.587 UNK_884.1997@20.389708 884.1997 20.39 UNK_884.2003@20.324537 884.2003 20.325 UNK_884.2@20.67979 884.2 20.68 UNK_884.5478@24.120539 884.5478 24.121 UNK_886.1091@22.734585 886.1091 22.735 UNK_888.1253@22.93838 888.1253 22.938 UNK_890.1404@23.191887 890.1404 23.192 UNK_890.7325@22.938124 890.7325 22.938 UNK_892.1265@22.732014 892.1265 22.732 UNK_893.5456@23.897924 893.5456 23.898 UNK_895.5508@24.478886 895.5508 24.479 UNK_895.5543@23.893957 895.5543 23.894 UNK_896.4944@18.212097 896.4944 18.212 UNK_896.5162@20.334467 896.5162 20.334 UNK_896.6353@22.73036 896.6353 22.73 UNK_900.5262@20.404268 900.5262 20.404 UNK_900.5263@18.36897 900.5263 18.369 UNK_900.5269@18.583797 900.5269 18.584 UNK_900.526@18.572947 900.526 18.573 UNK_900.5281@20.33027 900.5281 20.33 UNK_902.5145@18.12472 902.5145 18.125 UNK_902.5145@18.197327 902.5145 18.197 UNK_905.2754@22.131783 905.2754 22.132 UNK_905.2761@22.061617 905.2761 22.062 UNK_905.278@22.161724 905.278 22.162 UNK_906.5443@20.325632 906.5443 20.326 UNK_906.5446@18.58522 906.5446 18.585 UNK_906.5447@20.332151 906.5447 20.332 UNK_906.5447@20.594446 906.5447 20.594 UNK_906.5451@18.396458 906.5451 18.396 UNK_906.5451@18.574957 906.5451 18.575 UNK_906.5451@20.465458 906.5451 20.465 UNK_906.5453@18.314344 906.5453 18.314 UNK_907.2906@22.439877 907.2906 22.44 UNK_909.297@22.43469 909.297 22.435 UNK_909.3031@22.667284 909.3031 22.667 UNK_909.3072@22.730358 909.3072 22.73 UNK_916.3818@22.729956 916.3818 22.73 UNK_917.1973@18.073473 917.1973 18.073 UNK_917.1975@18.35851 917.1975 18.359 UNK_917.1981@18.48226 917.1981 18.482 UNK_917.1989@18.748959 917.1989 18.749 UNK_917.1991@18.349987 917.1991 18.35 UNK_920.2343@0.80142766 920.2343 0.801 UNK_920.4142@22.933084 920.4142 22.933 UNK_921.5668@24.483868 921.5668 24.484 UNK_921.5717@24.368973 921.5717 24.369 UNK_922.4002@22.729828 922.4002 22.73 UNK_923.2144@18.033512 923.2144 18.034 UNK_923.2145@18.486435 923.2145 18.486 UNK_923.2149@18.346619 923.2149 18.347 UNK_923.2152@18.170582 923.2152 18.171 UNK_923.2155@18.758984 923.2155 18.759 UNK_923.215@18.369001 923.215 18.369 UNK_923.5326@20.387516 923.5326 20.388 UNK_923.5334@20.32374 923.5334 20.324 UNK_924.4433@23.189154 924.4433 23.189 UNK_926.4302@22.93419 926.4302 22.934 UNK_930.0961@22.86801 930.0961 22.868 UNK_930.1732@21.634378 930.1732 21.634 UNK_930.1745@21.538725 930.1745 21.539 UNK_930.1749@21.69143 930.1749 21.691 UNK_930.1749@21.850258 930.1749 21.85 UNK_936.1908@21.677746 936.1908 21.678 UNK_936.1916@21.850258 936.1916 21.85 UNK_936.192@21.644617 936.192 21.645 UNK_936.1935@21.524017 936.1935 21.524 UNK_936.3695@22.854342 936.3695 22.854 UNK_938.4837@20.321648 938.4837 20.322 UNK_938.483@20.366627 938.483 20.367 UNK_939.5819@22.725182 939.5819 22.725 UNK_942.2254@0.98998797 942.2254 0.99 UNK_942.3905@22.853056 942.3905 22.853 UNK_943.248@22.386795 943.248 22.387 UNK_943.2539@22.276003 943.2539 22.276 UNK_943.5448@18.451159 943.5448 18.451 UNK_943.5448@18.613592 943.5448 18.614 UNK_943.5468@18.228987 943.5468 18.229 UNK_945.5537@18.612823 945.5537 18.613 UNK_945.5617@18.390123 945.5617 18.39 UNK_945.5625@18.583673 945.5625 18.584 UNK_946.1693@20.327635 946.1693 20.328 UNK_946.1695@20.534357 946.1695 20.534 UNK_946.1695@20.587042 946.1695 20.587 UNK_946.1697@20.392239 946.1697 20.392 UNK_946.1697@20.692219 946.1697 20.692 UNK_946.6551@22.734966 946.6551 22.735 UNK_948.6184@22.290022 948.6184 22.29 UNK_948.6603@22.857134 948.6603 22.857 UNK_949.2623@22.31768 949.2623 22.318 UNK_95.9324@0.69925565 95.9324 0.699 UNK_952.1863@20.338072 952.1863 20.338 UNK_952.1863@20.396416 952.1863 20.396 UNK_952.1865@20.619596 952.1865 20.62 UNK_952.1865@20.67603 952.1865 20.676 UNK_952.1866@20.561314 952.1866 20.561 UNK_952.6708@22.73847 952.6708 22.738 UNK_954.0956@22.737238 954.0956 22.737 UNK_956.1125@22.938745 956.1125 22.939 UNK_956.4014@23.010267 956.4014 23.01 UNK_956.979@0.6925557 956.979 0.693 UNK_958.1268@23.190205 958.1268 23.19 UNK_958.189@0.77533084 958.189 0.775 UNK_958.1976@0.6570017 958.1976 0.657 UNK_958.7159@22.76264 958.7159 22.763 UNK_958.7165@22.931446 958.7165 22.931 UNK_961.5537@15.786755 961.5537 15.787 UNK_968.5143@20.408527 968.5143 20.409 UNK_968.5144@20.313763 968.5144 20.314 UNK_968.5145@18.402172 968.5145 18.402 UNK_968.5145@18.601776 968.5145 18.602 UNK_968.5147@18.52445 968.5147 18.524 UNK_968.514@20.37555 968.514 20.376 UNK_968.5158@18.583113 968.5158 18.583 UNK_968.515@20.312784 968.515 20.313 UNK_970.5006@18.196806 970.5006 18.197 UNK_970.5029@18.134737 970.5029 18.135 UNK_973.1461@0.7730028 973.1461 0.773 UNK_973.2624@22.05134 973.2624 22.051 UNK_973.2628@22.128494 973.2628 22.128 UNK_973.2638@22.158718 973.2638 22.159 UNK_974.5316@20.597685 974.5316 20.598 UNK_974.5318@18.595821 974.5318 18.596 UNK_974.5318@20.330399 974.5318 20.33 UNK_974.5319@18.567509 974.5319 18.568 UNK_974.5319@20.312864 974.5319 20.313 UNK_974.5323@20.455683 974.5323 20.456 UNK_974.5324@20.311474 974.5324 20.311 UNK_974.5326@18.344435 974.5326 18.344 UNK_974.532@18.420126 974.532 18.42 UNK_975.2773@22.437801 975.2773 22.438 UNK_977.2933@22.733978 977.2933 22.734 UNK_984.3683@22.730236 984.3683 22.73 UNK_985.1814@18.377636 985.1814 18.378 UNK_985.1817@18.73327 985.1817 18.733 UNK_985.1849@17.89547 985.1849 17.895 UNK_985.1855@18.081541 985.1855 18.082 UNK_985.1856@18.314377 985.1856 18.314 UNK_985.1859@18.4849 985.1859 18.485 UNK_988.4025@22.934595 988.4025 22.935 UNK_990.3875@22.730902 990.3875 22.731 UNK_992.4298@23.189266 992.4298 23.189 UNK_994.4187@22.932117 994.4187 22.932 UNK_994.4282@23.165855 994.4282 23.166 UNK_994.4283@22.63846 994.4283 22.638 UNK_996.6169@22.120829 996.6169 22.121 UNK_998.0824@22.872808 998.0824 22.873 UNK_998.1608@21.719799 998.1608 21.72 UNK_998.1614@21.694118 998.1614 21.694 UNK_998.1628@21.65379 998.1628 21.654 UNK_998.1637@21.59164 998.1637 21.592 URACIL (CAS# 66-22-8); (M-H)- 112.0263 0.972 1174 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 156.016 1.027 6971263 URATE (CAS# 69-93-2); (M-H)- 168.0283 1.031 1175 URIDINE (CAS# 58-96-8); (M+CL)- 244.07 1.333 6029 URIDINE (CAS# 58-96-8); (M+HCOO)- 244.0689 1.354 6029 URIDINE (CAS# 58-96-8); (M-H)- 244.0696 1.362 6029 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 324.0368 0.929 6030 UROCANATE (CAS# 104-98-3); (M-H)- 138.0419 0.942 736715 URSODIOL (CAS# 128-13-2); (M+HCOO)- 392.2932 21.585 31401 URSODIOL (CAS# 128-13-2); (M-H)- 392.2931 21.647 31401 VALINE (CAS# 72-18-4); (M-H)- 117.0788 0.88 6287 XANTHINE (CAS# 69-89-6); (M-H)- 152.0334 1.293 1188 XANTHOSINE (CAS# 146-80-5); (M-H)- 284.0751 2.292 64959 XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M-H)- 364.0438 1.33 73323 XANTHURENIC ACID (CAS# 59-00-7); (M-H)- 205.0376 4.561 5699 XYLOSE (CAS# 58-86-6); (M+HCOO)- 150.052 0.682 135191 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 219.1121 3.905 449093 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 219.1125 3.904 449093