Metabolite_name RefMet_name S00018254 S00018255 S00018256 S00018257 S00018258 S00018269 S00018270 S00018271 S00018272 S00018273 S00018249 S00018250 S00018251 S00018252 S00018253 S00018264 S00018265 S00018266 S00018267 S00018268 S00018244 S00018245 S00018246 S00018247 S00018248 S00018259 S00018260 S00018261 S00018262 S00018263 Factors - Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:no | KD#2:yes Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:no | KD#1:yes | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no Condition:yes | KD#1:no | KD#2:no 1-(5^-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMIDE (CAS# 3031-94-5); (M+H)+ AICAR 1150 2489 2374 5520 4365 16:0-18:0 PC (CAS# 59403-51-9); (M+H)+ PC 16:0_18:0 44859 40939 50224 68953 36460 60916 72757 41383 65210 43886 56866 30034 50549 19821 20116 48313 95843 40653 46380 52357 21290 18120 52442 37317 25734 37713 43058 83994 103513 59956 16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ PC 16:0_18:0 445621 417180 530280 720918 383074 601050 653563 388191 594391 407835 554028 326621 485917 215348 213595 470711 926197 378231 449485 492032 226687 198428 475075 339119 263610 393904 418466 833504 1026760 640652 16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ LPC 16:0 61499 72853 60811 78652 53258 69320 52567 46435 63289 110501 83587 68412 71116 64432 56914 78886 75190 76382 118825 80088 49065 34258 83655 66327 43302 73003 143403 68284 110914 82692 16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ LPC 16:0 348932 484737 442179 512141 296959 416869 289971 288825 338970 620981 487972 400734 389761 416738 334628 436076 436519 390031 619519 444826 251940 170360 408914 317082 211503 398547 806511 359003 605911 463589 18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ LPE 18:0 6681 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ 1-Aminocyclopropanecarboxylic acid 31297 148297 134913 49232 110110 135638 154307 156173 35460 125655 45073 30749 232008 35369 6395 38083 111135 92881 138517 135679 117395 161794 154069 1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ 1-Methyladenosine 2735 4148 1955 3535 3827 3861 2471 2199 2410 2197 3254 1951 5831 7673 3956 2471 7057 1619 8142 2666 1728 3459 6117 4867 4367 6801 1-METHYLNICOTINAMIDE (CAS# ); M+ 1-Methyl nicotinamide 153841 188025 291092 346502 313397 111133 166319 115330 112357 154542 180948 142827 164770 135108 232953 216729 43227 133468 161682 182246 1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+ 1-Methylxanthine 648140 1060481 713420 979065 821022 1930973 1082762 1400546 1592829 1537028 529888 975344 824452 1723781 1153083 756264 1211491 868915 1012639 1412916 651525 419982 446299 559107 313594 600103 1019147 588791 658275 1042727 1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+ 1-Methylxanthine 4749 8865 5340 8025 6567 15535 9080 12275 9704 11321 4523 9069 5973 9538 4616 6237 7280 9287 5672 3011 2997 4857 3515 7865 3853 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ MG 18:1 32515 25463 22658 21698 21703 47738 12315 118337 22896 17385 8851 16510 10444 9641 64991 30761 21285 22849 22115 23219 39420 14077 9981 20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ LPC 20:0 2696 5592 4153 2629 3894 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ SM 18:1;O2/24:0 93631 74817 48429 27908 29911 18260 39629 42571 43442 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ Deoxyguanosine 2741403 3197011 1572135 1894002 232192 7948545 1228998 4515578 1764737 4955855 1012469 1657422 644687 1407962 760644 1459101 2309070 1292630 3347699 6093995 912633 250979 722179 594059 142440 2731025 3759972 2119079 1279130 1304515 2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ Citraconic acid 8357 8083 5238 6541 4831 1951 8131 7507 5082 3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] 3-Aminoisobutanoic acid 4454 11670 5995 8555 6023 11313 1664 6610 8563 23528 15021 10101 10365 1841 6582 8471 3^-CMP (CAS# 63-37-6); (M+H)+ 3'-CMP 70544 49723 58470 73302 84089 1795 98341 76137 76908 63840 59280 62462 26094 39452 92618 63381 92214 100557 72528 48961 45017 95121 61409 54180 104714 25514 93629 97375 67773 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ 3-Hydroxymethylglutaric acid 4668 6020 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ 3-Methyladipic acid 1475 2088 1964 2272 1913 1604 4770 3390 5522 6683 20484 12600 1190 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ 4-Acetamidobutanoic acid 43146 16657 10001 40790 11868 32614 7323 28862 26965 24834 31667 16721 13993 43700 25913 27185 32206 28471 31137 35476 53986 41390 20178 43578 6100 29133 38800 14201 20121 29313 4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O] Vanylglycol 52979 64279 18780 29773 26441 45141 29358 41469 37531 33785 38158 71872 35232 31164 35101 42345 32146 48711 51201 37488 36565 5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] Lathosterol 49115 47096 60138 69724 76461 64557 83151 42218 76583 60742 62053 36813 54880 26233 28107 42856 90325 49611 49088 44299 26362 25847 61074 42900 37105 38570 44436 63273 81742 64667 5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ 5-Aminopentanoic acid 1313327 1403276 1265230 1266578 1444494 4381264 5120492 5943447 5765979 5755476 1262905 1366757 1366471 1381637 1168833 2663659 1443655 1619756 1782651 5247168 975231 885868 962517 970548 958458 1474847 1463258 1453472 1386706 1390638 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ 5'-Methylthioadenosine 103684 86900 81811 101758 115397 173240 162440 110834 201250 204237 51553 75936 74591 56481 61120 102990 114439 116100 105330 136217 47610 37382 58521 52851 40527 73804 112766 80587 92591 92614 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ 5'-Methylthioadenosine 3503 2345 1270 2115 4148 3483 3779 2745 2782 2163 1597 2270 1337 1469 2463 1904 1123 1212 1858 1748 1534 2714 1911 5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ Pyroglutamic acid 700576 1283075 790023 1093598 837582 2679688 881241 837959 1036299 1010539 2389770 1534397 575459 1140133 843483 947082 756407 905470 535871 821782 478824 1012780 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ Pimelic acid 1475 2088 1964 2272 1913 1604 3597 3390 5522 6683 22672 12600 1190 ACETOACETATE (CAS# 541-50-4); (M+H)+ Acetoacetic acid 3471 2389 3148 2757 3148 2598 3945 2531 2080 2494 2684 1904 3227 2146 ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ CAR 2:0 527231 576419 528968 639918 687457 2410881 2289932 2123626 2324648 248839 307886 315216 274067 257771 1619654 1404171 1302779 1570429 1371063 84563 59002 364392 76810 71656 264841 617228 330211 307442 255850 ACETYLCHOLINE (CAS# 51-84-3); M+ Acetylcholine 18511 28125 30579 23163 27077 21264 21835 4049 4219 4336 31826 22895 18854 1194 4412 9761 20820 15032 17840 12815 ADENINE (CAS# 73-24-5); (M+H)+ Adenine 64065 12803 42008 80305 76929 70566 171834 43495 33058 39116 28922 58022 72231 136492 73525 44581 30317 102143 110596 44322 ADENOSINE 5^-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ ADP 248026 150741 30456 129496 184924 377825 209180 158730 225380 359673 82280 96532 113258 122317 78579 122379 128566 245354 410540 200321 131473 72767 201970 37955 47421 331040 300490 133768 87512 92020 ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ AMP 146735 38591 62019 86287 78955 236694 98815 56267 69419 635183 53441 34420 25510 38890 56795 43908 119861 301640 145073 202908 67611 121713 51816 39408 276716 276741 91228 53213 37614 ADENOSINE (CAS# 58-61-7); (M+H)+ Adenosine 2741403 3197011 1572054 1894002 232192 7948545 1225277 4515578 1759669 4948408 1012469 1652841 644687 1407962 760644 1459101 2309070 1292630 3347699 6089845 912633 250979 722179 594059 142440 2731025 3759972 2119079 1279130 1304515 ADP-RIBOSE (CAS# ); (M+H)+[-H2O] ADP-ribose 35508 55007 33228 39909 35465 41495 40413 38053 42076 43993 34919 28654 31059 15187 24893 43637 34616 42596 40213 35394 21003 33426 35448 34472 32440 40555 51380 28641 40947 35073 ADP-RIBOSE (CAS# ); (M+NA)+ ADP-ribose 1457 2340 2815 1606 1716 1254 1634 ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O] Allose 4806 7131 4668 8251 6020 3623 ASPARTATE (CAS# 56-84-8); (M+H)+ Aspartic acid 16392 3503 10562 11922 23433 99339 46986 13133 7532 54462 11724 22776 9883 31140 21201 21658 79554 12316 22513 36083 36727 29914 38677 14319 36230 26054 91446 AZELAIC ACID (CAS# 123-99-9); (M+NA)+ Azelaic acid 22828 18720 13803 14719 6007 13297 3471 10183 16708 38151 18586 16632 25465 18353 21334 16638 16027 35467 27574 43586 124161 61537 19819 22853 15604 BETA-ALANINE (CAS# 107-95-9); (M+H)+ beta-Alanine 219412 185674 193118 201030 225969 92854 122406 169722 163419 180676 118215 151336 164132 172589 130253 196321 151859 147361 174430 169415 167339 BETAINE (CAS# 107-43-7); (M+H)+ Betaine 1283937 1389392 1252349 1253055 1458767 4378652 4689733 5856411 5869028 5683068 1248233 1366757 1351756 1381072 1168833 2663659 1443650 2854919 1798855 5242794 960960 887215 938646 971341 958458 1474847 1462571 1439192 1386706 1391497 BETAINE (CAS# 107-43-7); (M+NA)+ Betaine 3941 7587 10855 7307 6659 4784 2026 5329 2927 2243 12917 9301 9814 19733 13403 5894 12613 5067 5365 8855 14449 18086 8577 13316 5141 10889 5550 9459 BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ Maltose 8648 12981 11316 12955 7829 7920 10879 11409 9670 11740 16479 1124 20845 14286 7385 9243 9306 9358 15808 10205 12165 8218 6836 9212 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ Bis(2-ethylhexyl)phthalate 148779 97712 139704 181612 144169 66794 114313 78069 80988 222326 99943 142503 49974 66841 126823 141297 89949 163340 99681 89981 78493 105159 150312 114238 121618 189823 181070 211473 107826 BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ Bis(2-ethylhexyl)phthalate 5978396 5139544 6409822 8046629 6883623 5764652 8550653 2943744 6759649 5996006 7723924 5233958 6655254 2983614 3769888 7842812 8621612 6981321 10000000 7650268 4449031 4232993 4965629 6963970 5423143 6126829 9223442 9395337 9181582 6900123 BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ CAR 4:0 68446 77383 68421 88007 86713 219892 140566 124162 163622 217092 41639 49606 52274 54063 44441 72617 65871 110092 80679 123638 31883 27818 48964 36780 32301 54152 72517 53009 59478 63418 CARNITINE (CAS# 541-15-1); (M+H)+ Carnitine 50336 78714 67661 21570 18291 184412 22226 35271 33396 67346 13695 24541 37025 CARNOSINE (CAS# 305-84-0); (M+H)+ Carnosine 3157 3288 3371 3536 4166 1690 1753 2445 1286 1844 2981 3553 3546 3514 CARNOSINE (CAS# 305-84-0); (M+NA)+ Carnosine 3861 10484 6535 1140 1297 CELLOBIOSE (CAS# 528-50-7); (M+NA)+ Cellobiose 8552 12981 11316 12955 7829 7920 10879 11409 9670 11740 16479 1124 20845 14286 7385 9243 9306 9358 15808 10205 12165 8200 1472 8101 9212 CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] Cholesterol 49115 47125 60288 69715 76644 64557 83151 42246 76583 58074 62053 36813 54880 26233 27993 41576 96013 49651 49088 44299 26362 25847 61074 42900 37105 38570 44317 63253 81742 64667 CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4] Cholesterol sulfate 1556 3345 2250 CHOLINE (CAS# 62-49-7); M+ Choline 18833 11253 16174 17515 13838 33144 13258 15371 10812 22448 14846 45889 53798 6198 16883 11151 20788 17046 23275 46567 18722 67551 15635 14953 38576 19738 9475 4122 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ Choline phosphate 1215692 1124107 1074944 1234679 1258172 693976 703311 867355 422506 517715 1637609 1258013 1428983 1224674 1295945 781978 590702 825445 799813 1194150 1460043 1647901 1679876 1407693 CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ Choline phosphate 29321 128149 113114 1187 21868 22444 30871 75076 126397 83384 8316 23458 25455 23134 CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+ cis-Vaccenic acid 3873 2325 3094 2756 1269 3531 2916 4539 5079 2371 3207 3140 5886 3005 3289 4411 4212 3516 CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ cis-Zeatin 1770838 1750735 1785069 1787431 1767255 1812223 1680518 1361787 1887504 1852660 1716061 1777685 1729742 1757647 1762498 1876054 1863674 1904708 1884808 1843046 1740517 1707403 1724180 1653816 1773376 1721694 1792898 1728899 1761643 1856062 CITRATE (CAS# 77-92-9); (M+NA)+ Citric acid 163207 149435 139793 150003 144012 120696 81521 85477 80692 71984 164516 180587 192589 152505 82096 86662 68086 79552 102987 199920 135141 131825 163293 152222 68370 80723 70751 78993 75526 CITRULLINE (CAS# 372-75-8); (M+H)+ Citrulline 2745 5077 1765 1221 2530 4037 2157 2585 1148 CITRULLINE (CAS# 372-75-8); (M+NA)+ Citrulline 46545 122810 58941 93524 6201 4151 1781 1228 CMP (CAS# 63-37-6); (M+H)+ CMP 70544 49723 58470 73302 84089 83074 98341 76137 76908 63840 59280 62462 26094 39452 92618 63204 92214 100557 72528 50262 45017 95121 61409 54180 107411 25514 93629 97375 67773 (-)-COTININE (CAS# 486-56-6); (M+H)+ Cotinine 12219 20230 16328 22149 28655 23540 24924 19808 28952 20439 16161 25822 26977 35524 27836 19850 25979 25996 18259 20124 13551 16094 16374 14434 15547 19382 16987 22131 27725 CREATINE (CAS# 57-00-1); (M+H)+ Creatine 6369327 5553366 6032320 6047639 6573577 2732720 6572 4426 9575 5040345 5168180 5273495 1434907 4444392 13166 4872700 6021 15520 4917749 4079219 3757914 5774715 4415719 4294588 5125298 31660 5591022 12723 4908373 CREATININE (CAS# 60-27-5); (M+H)+ Creatinine 62726 74452 70882 68551 62574 31785 49496 67499 39065 27472 52347 39506 44098 38355 45064 38053 29703 44604 CYSTATHIONINE (CAS# 56-88-2); (M+NA)+ Cystathionine 1158 CYTIDINE 5^-DIPHOSPHATE (CAS# 63-38-7); (M+H)+ CDP 17914 CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+ CDP-choline 2713 2288 4291 7470 1139 7353 1648 6044 4984 2148 1810 3698 3282 5198 4686 5894 CYTOSINE (CAS# 71-30-7); (M+H)+ Cytosine 23377 14705 19175 26180 26332 31647 20529 26983 21991 19273 12965 2388 2818 23930 9887 28050 43059 29831 8083 25967 9136 14377 35608 56782 31503 27298 15118 DECANOATE (CAS# 334-48-5); (2M+NA)+ Capric acid 39274 23444 6978 5669 12596 13011 5964 12772 13053 19082 17156 5999 5849 16615 10806 10959 15410 6660 17049 6154 10780 21876 8565 6752 DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+ Deoxycytidine 1944 1907 4779 2010 1872 1386 1244 3836 DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+ Dethiobiotin 1530 2572 3107 2331 1075 1495 D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] Galactosamine 2731 4422 4027 4115 66787 2307 5340 4390 23800 8474 4200 2712 3690 1518 2705 3023 29864 32925 3361 1493 2488 D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+ Glucose 6-phosphate 22374 14991 10889 14135 23043 14145 90994 12716 6410 1297 21282 38371 16244 7669 9210 29713 20514 13708 14410 3944 DGMP (CAS# 902-04-5); (M+H)+ dGMP 22128 38280 21922 40117 47507 67825 60575 50232 50577 71820 29414 34325 24579 37990 60458 62905 59442 25717 27586 50523 33756 31740 45339 51377 31348 42095 37368 D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] 2-Amino-2-deoxy-D-mannose 2731 4422 4027 4115 66787 2307 5340 4390 23800 8474 4200 2712 3690 1518 2705 3023 29864 32925 3361 1493 2488 D-ORNITHINE (CAS# 348-66-3); (M+H)+ D-Ornithine 1605 2910 2619 2661 2782 1839 2112 2551 1953 2812 3234 2935 3935 3333 2412 2638 2054 1871 2438 2944 3617 4686 2251 2542 2638 2128 2226 2435 D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] Psicose 14812 12955 8968 20845 14286 9243 9306 9358 15808 8200 8101 EDTA (CAS# 60-00-4); (M+H)+ Edetic acid 16051 14461 12110 9969 4711 44630 26307 27518 16473 15094 EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+ CAR 20:3 5020 3628 3476 2296 3120 2607 3501 5580 ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ Elaidic acid 16683 13978 13075 15700 25835 17699 15461 24462 1871 15687 15926 17761 13297 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+ 24-epi-Brassinolide 454145 417260 416020 499708 593723 386606 428047 292705 442576 409514 517533 621441 707527 426552 459439 474520 440810 473077 456768 424829 520139 481951 517039 673464 572906 493005 612567 495527 522772 470641 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+ 24-epi-Brassinolide 4690103 4784756 5070444 5434056 5534032 6563704 6475423 5638652 6593094 5864625 5245777 5476506 5677699 4592421 4545852 6062753 6380786 6456839 6560567 6557289 4847987 4607843 4812497 5728287 5168044 5152491 6921190 6424030 6999130 6562343 ERYTHRITOL (CAS# 149-32-6); (M+NA)+ Erythritol 17810 16867 24005 24963 25323 18278 22566 16999 16268 18510 24572 14375 13759 12774 16331 19691 30318 ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ Ethylmalonic acid 26842 60923 25414 53360 58357 5466 1754 35468 83134 78592 194387 119440 2026 1399 76086 71634 5302 58661 52699 2071 2571 2157 FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+ FAD 3805 1234 5351 2395 5073 5529 2074 3284 3114 4815 2474 8139 1003 1750 2004 1445 FLUCYTOSINE (CAS# 2022-85-7); (M+H)+ Flucytosine 901117 1080936 1102974 1701882 906061 1439491 1299407 665919 1276119 475346 285283 1140424 952509 466950 FOLIC ACID (CAS# 59-30-3); (M+H)+ Folic acid 10607 33418 17651 24850 17059 53599 15420 36914 37272 27965 15909 33711 27595 67723 39607 22286 43318 26880 28822 52814 22689 13896 26994 14137 11622 17151 36101 16815 18536 38726 FOLIC ACID (CAS# 59-30-3); (M+NA)+ Folic acid 2161 8875 5266 6779 4973 16396 3313 10061 10125 6784 4272 8898 8210 18881 11671 6447 12570 7877 7136 14552 5832 3444 7371 3339 2373 4833 10976 4296 4393 9823 FRUCTOSE (CAS# 57-48-7); (M+NA)+ Fructose 123456 350474 740614 466136 870265 783840 2158038 1454711 925046 933346 907285 592266 327148 529327 496852 1035021 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ gamma-Glutamylcysteine 26908 17492 20387 17461 29223 8894 31595 25575 11663 13961 12698 15739 8907 10717 6991 23163 8821 16707 14476 17263 14269 14155 12371 13708 13519 10903 10126 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] gamma-Glutamylcysteine 160128 137232 146925 162055 191750 329597 330062 286603 353067 375357 88808 78984 105899 10479 46601 254938 200896 257427 235565 208359 47286 48822 124832 71459 74401 144119 196530 192394 208805 157593 GDPMANNOSE (CAS# ); (M+H)+ GDP-mannose 2926 2704 1440 3018 1729 3058 3992 3704 2778 2643 2397 1977 3424 2957 GDPMANNOSE (CAS# ); (M+NA)+ GDP-mannose 1320 1434 1318 1646 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ Gibberellin A3 40986 33832 39612 44190 52787 39193 40205 33418 46375 42648 47291 49700 55668 30745 36391 43176 42633 43967 43200 42246 42297 39551 43007 55111 50070 45913 57211 44887 46178 43029 GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] Glucose 12981 12955 7829 8207 20845 14286 5841 9243 9306 9358 15808 8218 6836 3118 GLUCOSE (CAS# 50-99-7); (M+NA)+ Glucose 123456 350474 119005 94423 52743 427774 870265 125185 2158038 1454711 77053 157893 111368 155270 192825 907285 592266 192314 529327 134128 113088 105448 1035021 GLUTAMATE (CAS# 56-86-0); (M+H)+ Glutamic acid 2783430 1735774 2228062 2025718 3121155 2147093 78991 1990931 2628356 2357728 1834029 1569241 751700 1228803 3320965 2086350 3182533 2262924 2101183 1783161 2443119 2195964 2229109 2591744 2577985 3147188 3302856 2211343 GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] Glutamic acid 1333596 93210 190232 219764 314836 203535 1518891 117983 303779 141942 311362 299756 154815 204175 133758 233330 1379914 1209775 913253 458893 340306 1083249 441417 1222153 95441 134521 152239 278927 GLUTAMINE (CAS# 56-85-9); (M+NA)+ Glutamine 37614 80051 127935 21814 146431 15732 63900 52734 GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+ CAR DC5:0 4710 8907 6541 13175 6832 16024 9167 10617 16590 10206 5427 11832 8563 29328 12220 4848 10621 8909 9560 13055 10104 5728 5814 6391 4468 10213 5666 5276 11759 GLUTATHIONE (CAS# 27025-41-8); (M+H)+ Glutathione 623017 758323 553303 782516 510370 1305177 877575 1536986 1214741 1158262 344001 552269 459856 440163 384193 967428 986269 763887 967248 1347956 267777 199777 458335 285266 175290 624099 1286444 547158 630723 672450 GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 Glutathione 2921114 3420897 2707662 3472902 2636537 5097921 4660555 7214990 6094739 5867277 2026500 2733012 2370326 2413074 2259793 4830198 4974619 4005462 4678239 7516145 1804487 1531897 2093456 1845067 1349956 3096092 5057216 3125989 3575857 3865684 GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ Glycochenodeoxycholic acid 1248 1137 2207 1459 4264 3279 3819 1790 1561 2519 1025 GUANINE (CAS# 73-40-5); (M+H)+ Guanine 96767 138084 93027 119152 105211 1908 88555 132282 116847 181045 143325 89985 81181 75941 89030 67760 83623 123892 78450 88807 GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ GMP 27513 14573 10089 8746 17764 17047 16074 100037 9470 9945 9007 15012 20098 86417 38107 19041 26360 20480 16821 66171 52354 6839 GUANOSINE (CAS# 118-00-3); (M+H)+ Guanosine 84842 125688 60060 69828 30615 214248 44330 103725 60645 258877 80539 61810 50435 102852 50570 126138 77927 48529 234926 197165 43105 16957 29287 39026 9320 141975 244059 65583 49534 56281 HIPPURATE (CAS# 495-69-2); (M+NA)+ Hippuric acid 6628 18712 14213 9578 27752 18373 13845 10012 18799 15221 49125 26207 19345 8452 23753 11385 7477 7388 6048 4667 12350 4093 4266 17671 INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ Indoleacetaldehyde 44648 56732 49122 65318 78771 67941 85172 65398 91754 63223 46728 71440 74389 108222 75646 68432 81082 81694 53557 54334 40473 46004 49058 50303 39462 46596 57277 51173 65679 79854 INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M+H)+ IMP 8314 14059 5278 INOSINE (CAS# 58-63-9); (M+NA)+ Inosine 22885 23632 19451 31742 10088 33994 28477 36369 70228 27608 19184 11474 21177 16312 50694 28239 18067 96683 43391 27607 20094 12533 34727 54537 18617 ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ CAR 3:0;2Me 68446 77383 68421 88007 86713 219892 140566 124162 163622 217092 18581 49606 52274 54063 44441 72617 65871 110092 80679 123638 31883 17733 48964 36780 32301 54152 72517 53009 59478 63418 ISOLEUCINE (CAS# 73-32-5); (M+H)+ Isoleucine 7472040 10700000 7550711 10000000 8659948 36500000 26100000 29700000 31500000 30400000 6421071 10000000 9466892 14200000 10900000 21000000 27400000 22700000 23800000 30200000 7584692 6418259 6338046 6863984 5449173 6977354 10100000 6577938 7050690 25800000 ISOLEUCINE (CAS# 73-32-5); (M+NA)+ Isoleucine 39253 24573 33321 30718 44235 21849 42694 41426 30752 26382 15456 39130 49991 35965 27028 37917 30049 13908 28836 23004 29984 36658 ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+ CAR 4:0;3Me 24188 20197 2646 29176 4072 222613 208048 147433 178619 242171 13708 2180 2597 57437 3697 105615 5680 102240 110922 124911 10597 25277 1589 12789 10195 17720 21250 75015 83127 74517 KYNURENINE (CAS# 343-65-7); (M+H)+ Kynurenine 11099 12116 15993 14009 35693 14133 12896 30280 11050 14388 15892 10743 9034 11959 7445 9829 9405 12216 LACTOSE (CAS# 63-42-3); (M+K)+ Lactose 15935 12935 14612 10918 15684 14412 14391 9608 10129 9413 13504 9075 12980 13187 8495 LACTOSE (CAS# 63-42-3); (M+NA)+ Lactose 8552 14812 11316 12955 8968 9566 11409 9670 13039 16479 21925 14286 7385 9243 9306 9358 15808 10167 12419 8200 8101 9136 L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] Allothreonine 177881 113338 148297 134913 10372 49232 2800 97485 154307 156173 114421 125655 54996 85084 232008 121146 203645 5015 143205 111135 92881 138517 135679 117395 161794 3852 215655 6846 154069 LANOSTEROL (CAS# 79-63-0); (M+NA)+ Lanosterol 7368 4834 1908 L-ARGININE (CAS# 74-79-3); (M+H)+ Arginine 70051 106877 85303 85671 82273 68543 107115 93278 69068 113306 102256 109491 222764 131845 75836 109902 89089 105339 126794 136880 132350 91861 118338 109889 91709 87677 74392 79215 132334 L-ARGININE (CAS# 74-79-3); (M+NA)+ Arginine 5349 13795 8745 7380 11723 10613 6281 9307 15736 13425 34160 5633 16468 9005 9720 18237 20027 17593 7251 12862 11589 7198 9989 7166 7228 19706 LEUCINE (CAS# 328-39-2); (M+H)+ Leucine 10700000 15300000 11600000 14400000 13200000 36400000 26100000 29700000 31500000 30400000 10200000 14500000 13700000 21500000 16300000 21000000 27400000 22700000 23800000 30200000 11500000 9519093 9055015 10500000 8382907 10900000 14700000 11100000 12400000 25800000 LEUCINE (CAS# 328-39-2); (M+NA)+ Leucine 37663 24573 33321 30718 44235 21849 42694 41426 27940 26382 24749 39130 29089 35965 27028 37917 30049 13908 28836 23004 29984 36658 LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] LTB4 20617 8155 6364 13106 17108 16770 9769 7955 L-HISTIDINE (CAS# 71-00-1); (M+H)+ Histidine 34785 43276 42683 41955 41952 50926 43280 43876 31445 37506 33767 40092 41733 44425 42425 39683 41426 45618 30658 22465 27872 28424 23670 35704 52177 35896 35999 38026 L-HISTIDINE (CAS# 71-00-1); (M+NA)+ Histidine 8698 6049 8010 10392 8094 5870 5256 9521 16123 11816 9421 5395 7252 5804 LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ CAR 18:2 3578 1130 1296 2751 L-ORNITHINE (CAS# 70-26-8); (M+H)+ Ornithine 1971 2910 2619 2661 2782 1839 1474 2551 1135 1932 3234 2123 3935 3333 1686 2638 2054 2198 2438 2944 2611 4686 1823 2542 2638 2128 1336 2435 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ Tryptophan 782524 733022 758385 855718 949312 626869 656958 466103 671931 631399 876661 1025109 1096501 671631 718997 790861 726393 738630 728082 703483 781721 723106 771273 994445 855545 776070 1017340 801277 836962 762226 LUMICHROME (CAS# 1086-80-2); (M+NA)+ Lumichrome 5052 5350 4659 5599 5548 1077 7177 2348 6134 6488 4809 1699 2916 21017 3115 4145 7680 5163 6282 4256 LYSINE (CAS# 56-87-1); (M+H)+ Lysine 125245 204471 144470 162668 146852 154856 101346 152871 134067 114779 139479 203983 194387 241588 248293 116015 156683 139958 131255 176208 192771 170839 140495 160213 142326 142482 167769 127745 125374 190248 MALATE (CAS# 636-61-3); (M+NA)+ Malic acid 22445 19361 6410 18938 18961 5974 26535 MALTOSE (CAS# 69-79-4); (M+NA)+ Maltose 8552 12981 11316 12955 8968 9566 10879 11409 9670 13039 16479 20845 14286 7385 9243 9306 9358 15808 10167 12419 8200 8101 9212 MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O] Mannose 6-phosphate 2882 2904 4025 1752 2693 4137 2882 2991 3820 2420 2691 MELIBIOSE (CAS# 585-99-9); (M+K)+ Melibiose 15935 12935 14612 10918 15684 14412 14391 9608 10129 9413 12105 9075 12980 13187 8495 MELIBIOSE (CAS# 585-99-9); (M+NA)+ Melibiose 8552 12981 11316 12955 7829 7920 10879 11409 9670 11740 16479 1124 20845 14286 7385 9243 9306 9358 15808 10205 12165 8200 1472 8101 9212 METHIONINE (CAS# 63-68-3); (M+H)+ Methionine 2117996 3180060 2232235 2771507 2520361 4274817 2785678 3284515 3431632 3393346 1923475 3048867 2849968 4671322 3298999 2220902 3099314 2444131 2706751 3386424 2342901 1794274 1648909 2016616 1551889 1904519 2785193 1830948 2042492 2890375 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ Methyl beta-D-galactoside 3068 4323 24317 1210 8940 3833 1296 1728 11860 3953 4993 6653 METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ Methyl jasmonate 24396 29211 25950 28518 28502 38106 34326 30399 33188 31372 28765 34982 29640 24662 34131 28730 33610 33208 35422 26778 30770 28439 25551 30173 23011 34599 34997 39170 34810 MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ Myo-inositol 123456 350634 119005 94423 52743 466136 870265 159567 2158038 1454711 98191 157893 111368 155270 192825 907285 592266 192314 529327 134128 113088 105448 1035021 MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ CAR 14:0 3178 2638 2105 2825 2196 3076 1745 1322 1213 3840 2055 1860 2119 1630 2107 3320 1297 2345 2454 1260 2648 1859 1582 2517 4713 2284 1413 2887 N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ N1-Acetylspermine 27317 14780 13277 12566 3724 6716 6245 1661 1668 86725 26820 8844 17626 9687 29227 25892 10800 5538 4240 3617 5852 2502 9747 17752 7336 12652 4092 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] N-Acetylglucosamine 77764 31212 111337 197889 173427 225983 186195 19925 19289 16080 13769 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (2M+NA)+ N-Acetylglutamic acid 1240 2183 1593 2104 1229 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ N-Acetylglutamic acid 91304 73401 77615 95025 103017 42805 67712 71946 73747 62853 40131 37287 57092 61716 65965 50304 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] N-Acetylglutamic acid 28915 23782 22747 30473 30281 41959 34820 13245 17093 15636 22559 18787 21492 21570 20856 8813 20030 18216 20928 18980 14901 N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ N-Acetylglutamic acid 83365 67155 84084 46227 46525 49749 30547 57672 48651 49559 49831 41632 36030 61135 49342 41666 47820 53429 49595 53025 43525 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ N-Acetylmethionine 2690 2464 9248 7803 5651 9039 1318 1240 1342 2335 4560 1426 1210 2382 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ N-Acetylmethionine 5357 5583 5943 6885 19336 16073 20037 19493 2524 3063 1940 2580 9826 8460 9598 9107 8886 3950 1996 5970 8698 5782 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ N-Acetylserine 3015901 1735774 2393458 2025442 3121155 2145388 157924 127696 2625207 74165 2557949 1837362 1569241 751700 1228803 3491353 2082975 3391433 2262924 2100287 1783161 201582 2195964 235636 2591744 2718761 3146765 3296710 2211343 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] N-Acetylserine 1428190 93210 190232 219764 314836 2679688 295990 881241 1580312 117983 303779 141942 311362 299756 154815 303019 203212 233330 843483 1208905 409202 458893 340306 1170018 441417 336974 156433 134486 231649 278927 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] N-Acetylgalactosamine 77764 31212 111337 197889 173427 225983 186195 19925 19289 16080 8574 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ N-Acetylalanine 1817 4252 3464 2989 5816 6375 2339 5438 1535 8828 1625 3943 2518 5587 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+ N-Acetylaspartic acid 96259 92111 84174 97945 91909 149864 145980 144137 79540 78857 74768 54841 61572 130831 117074 117600 120878 118785 68073 62437 125023 74909 67393 112875 125777 110547 111353 107315 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] N-Acetylaspartic acid 47058 44723 45898 78192 81291 77936 41016 41193 71291 64341 62156 63748 66769 38194 61856 66975 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ N-Acetylaspartic acid 27974 24540 22714 24085 25420 42089 41974 37747 39649 34721 24529 24975 22692 17079 19471 37148 35294 36021 31601 41571 26215 21916 42528 27173 26497 29026 31886 30711 32668 37929 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ N-Acetylleucine 7358 6827 4105 3891 1506 1579 2145 2753 7854 4137 6457 4414 5397 1293 5803 3375 2490 4036 1890 4725 7480 1225 1264 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ N-Acetylleucine 76914 74596 39940 37860 18389 29330 24898 63703 30240 22151 37483 76295 43593 75132 47751 68667 30653 37835 26221 28575 62082 37961 26122 39881 16068 45410 86637 19639 23521 22467 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ N-Acetylneuraminic acid 35919 61571 42509 30197 28511 15887 18589 31299 45599 39988 36531 19876 2168 46997 3498 31843 26746 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ N-Acetylneuraminic acid 28696 32685 42649 44475 20624 30377 NAD (CAS# 53-84-9); (M+2H)+2 NAD 412786 391149 382750 455907 484541 522860 537619 567053 509412 530841 364217 395062 386599 252976 295636 419376 400876 430730 420369 416727 246735 230100 385195 320372 266334 343822 437462 383674 380684 325774 NAD (CAS# 53-84-9); (M+H)+ NAD 322005 288981 289773 369253 396654 664313 713633 730786 654739 677486 208638 247825 260075 145545 174711 390782 344273 424641 398077 393381 127864 120271 267921 181264 140742 249886 378698 310809 292114 247982 NAD (CAS# 53-84-9); (M+NA)+ NAD 6047 6109 5804 6960 7043 8838 25190 9747 9263 30467 6416 8504 7887 6664 5885 23352 6536 26424 5332 7088 5418 4236 7521 6769 5264 4069 21472 16534 19360 5995 N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ N(2)-Acetyllysine 6134 3861 3201 60692 2168 2660 36964 2983 12831 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ N-Cyclohexylformamide 18255 35799 29256 16732 16574 16225 12069 10647 13346 14822 34094 43047 34673 18105 16704 15149 15927 11336 12541 12250 22666 12661 11577 13107 11039 15997 21169 17110 13851 N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ N-Cyclohexylformamide 14819 30067 28800 16712 10314 12400 15138 31097 37557 32952 16579 14661 14984 12265 13079 23903 10340 9121 10440 15423 13932 13690 NICOTINAMIDE (CAS# 98-92-0); (M+H)+ Niacinamide 510405 754091 704864 624762 1061008 509627 819483 765691 816108 461908 697184 631723 1107784 834229 757175 532368 659195 922193 642855 424618 491994 409311 434469 745729 581945 491978 719262 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ N-Methyl-D-aspartic acid 2783430 1735774 2228035 2025718 3121155 2253842 78991 2098672 2624592 2357915 1834097 1569241 751700 1228803 3309960 2080785 3182602 2262924 2235815 1783161 2370636 2195964 2229109 2591744 2718761 3340260 3297842 2211343 N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ Trigonelline 26760 17578 16708 20688 46174 40515 54003 40870 5327 27515 22502 14934 N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+ N-Oleoyl glycine 1359 1395 3710 4822 2951 6541 3390 NORADRENALINE (CAS# 51-41-2); (M+H)+ Xi-Norepinephrine 245796 470166 315875 465517 447731 602410 220802 208365 232430 283962 520120 434212 1027361 707529 216572 407877 266404 328658 351208 411018 314898 183469 287991 245292 254424 453500 243630 255685 476876 NORLEUCINE (CAS# 327-57-1); (M+H)+ Norleucine 10700000 15300000 11600000 14400000 13200000 36400000 26100000 29700000 31500000 30400000 10200000 14500000 13700000 21500000 16300000 21000000 27400000 22700000 23800000 30200000 11500000 9519093 9055015 10500000 8382907 10900000 14700000 11100000 12400000 25800000 NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O] Normetanephrine 426147 471427 37702 532594 451472 414003 62236 386721 424364 69068 395208 484167 466247 467637 502103 519430 461985 96674 378252 545686 392007 527196 483887 414438 459623 396209 513198 458199 506065 510786 NORVALINE (CAS# 6600-40-4); M+[-CO2H] Norvaline 1159334 1875399 1277158 2282196 1405977 2718211 2876561 3574296 3520221 3435093 1084711 1730000 1567028 3345125 2534508 1554138 2818423 1776333 1791572 3146673 1399473 1076114 990212 1195403 916630 1026244 1484947 1114819 1279711 1742210 NORVALINE (CAS# 6600-40-4); (M+H)+ Norvaline 1819114 3085864 2343790 2744201 2492787 4381264 4689733 5943447 5765979 5688486 1966186 2912384 2793440 4337183 3301743 2663659 3083096 2922974 2513205 5247168 2504827 2065107 1932089 2242630 1780423 1905261 2699328 1845286 2253620 2983648 N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ 3-Methylhistidine 11508 8118 10075 9533 5851 6938 8153 9802 7795 6302 8092 11470 6943 7062 7302 10863 9325 6461 6995 9552 6763 4680 7078 7808 5734 12368 12548 11087 10773 8431 OLEAMIDE (CAS# 301-02-0); (M+H)+ Oleamide 7209 5249 6761 13177 10682 13534 14425 14920 3541 9970 24556 10174 10317 2278 5205 15685 16834 14579 9363 84399 OLEAMIDE (CAS# 301-02-0); (M+NA)+ Oleamide 70386 77186 150172 90370 85337 83768 52804 559339 OLEIC ACID (CAS# 112-80-1); (M+H)+ Oleic acid 1461 1595 1499 1100 OLEIC ACID (CAS# 112-80-1); (M+NA)+ Oleic acid 30189 20881 13098 20769 39482 13827 43609 65301 41955 44783 17699 66446 61976 66763 58609 35988 35832 50474 23000 29372 66645 55589 55869 41083 7451 45104 50420 33889 26687 OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+ CAR 18:1 12528 9038 8726 7824 6070 26322 9284 8523 9801 13869 9722 7744 8667 6462 6133 7723 7626 12793 9142 13763 12461 8105 8170 11255 6812 8995 21052 9760 9365 8087 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+ DL-O-Phosphoserine 8555 7814 7353 8409 7708 9394 5641 5405 9298 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+ DL-O-Phosphoserine 3285 3654 3534 1871 1966 O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+ DL-O-Phosphoserine 18684 23630 5152 14074 7534 7753 6096 20001 28029 26960 16432 21479 23608 25194 19413 16087 15967 12479 9214 16200 21230 18154 30295 O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+ DL-O-Phosphoserine 18684 23630 5152 14074 7534 7753 6096 20001 28029 26960 16432 21479 20906 21922 19413 16087 15967 12479 9214 16200 21230 18154 30295 OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ Ophthalmic acid 93437 103961 101831 99188 103190 46225 46685 51900 51992 56689 68241 25346 28552 38055 34533 50146 42689 17862 32608 18202 25079 20388 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 Oxidized glutathione 2921114 3420897 2707497 3472295 2636537 5097921 4660555 7214990 6094739 5867277 2026500 2733012 2370151 2413074 2259721 4829881 4974619 4005462 4678239 7516145 1803785 1531897 2093456 1845067 1349924 3096092 5054288 3125352 3576844 3865684 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ Oxidized glutathione 625852 758323 553303 782516 510370 1305177 877575 1536986 1214741 1158262 344001 552269 459856 440163 384193 967428 986269 763887 967248 1347956 267777 199777 458335 285266 175290 624099 1286444 547158 630723 672450 PALATINOSE (CAS# 343336-76-5); (M+NA)+ Palatinose 8648 12981 11316 12955 7829 7920 10879 11409 9670 11740 16479 1124 20845 14286 7385 9243 9306 9358 15808 10205 12165 8218 6836 9212 PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+ CAR 16:1 2583 1927 8126 3806 1333 2548 1435 1585 1782 3858 1701 1052 2357 1319 4871 1322 PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ CAR 16:0 8246 6538 5667 6043 5168 13953 8146 3989 8911 11056 6631 5629 4376 4436 4340 8197 8130 9851 9871 9642 6676 5356 6928 6801 3477 8173 14330 10371 10379 8406 PANTOTHENATE (CAS# 79-83-4); (M+H)+ Pantothenic acid 510169 710551 495684 688623 603190 2051728 1629762 1397586 1934828 1961842 331914 550817 511200 915675 622052 1263793 1210282 1261423 1199106 1497512 353400 253572 725269 296800 233157 876263 1221038 791139 865623 1003225 PANTOTHENATE (CAS# 79-83-4); (M+NA)+ Pantothenic acid 358117 533470 360905 530150 465880 1957246 1479073 1330439 1558327 1700202 246909 428112 398819 764758 451028 980528 998762 972899 973142 1140502 266766 185355 572418 227013 168944 675356 1058880 683879 754893 772356 PHENYLALANINE (CAS# 63-91-2); (M+H)+ Phenylalanine 44453 92167 37702 47884 451472 414003 62236 114003 69808 58374 76552 466247 31267 502103 76943 461985 51495 112701 545686 106358 527196 483887 80929 49252 101462 62829 107027 65922 510786 PHENYLALANINE (CAS# 63-91-2); (M+NA)+ Phenylalanine 2412 1987 3241 2779 2693 2906 1522 3409 3760 1203 1076 3029 2211 2789 1968 4330 1985 2042 3962 2973 3189 PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+ Phenylhydrazine 13799 5953 4521 4229 1994 3073 1470 1603 1261 16668 7283 4592 14855 2538 5264 1392 1099 1559 1875 3850 14029 PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+ Phosphocreatine 425826 329868 371415 422727 271527 315735 370842 112815 109681 115991 51125 67554 127592 82676 117691 104092 86706 90985 94887 106456 124848 121354 129784 122099 144334 139515 99598 PINITOL (CAS# 10284-63-6); (M+NA)+ Pinitol 4323 20216 1210 8940 3833 1296 3985 1728 11860 10407 4993 6653 PIPECOLATE (CAS# 535-75-1); (M+NA)+ Pipecolic acid 41508 90011 46036 73205 54129 149056 25889 164325 104998 43360 40080 87764 81619 191529 105842 42699 64219 56244 55329 70354 50782 39802 29854 39438 34315 27428 57451 23255 34551 68621 PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ 1335 1433 1550 34482 12878 1193 56257 65959 1329 1610 1194 1029 1118 1584 25626 33222 1358 1454 1836 1250 21591 1601 1045 1487 PROLINE (CAS# 147-85-3); (M+H)+ Proline 2897951 2230616 2861457 2965949 3616792 2726 2264976 2021688 2145412 1367463 1548766 1750103 1051157 1492025 1377353 1002962 1493945 1342852 1772584 1747774 1781036 1546253 960203 1494241 1485392 959231 PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+ CAR 3:0 167854 222025 197114 274824 265271 669566 676310 575209 691408 776214 101500 181186 176549 174811 150872 508594 458116 463607 463589 435502 65018 62360 273752 89899 77826 313092 384254 341360 384617 341814 PURINE (CAS# 120-73-0); (M+H)+ Purine 156771 22898 72694 48957 172083 109738 69411 79755 PYRIDOXAL (CAS# 66-72-8); (M+H)+ Pyridoxal 23377 15031 18056 35998 36090 31765 19841 7699 8745 14850 20406 20995 PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+ Pyridoxal 5'-phosphate 10624 7742 8966 11502 9621 8629 15048 8207 11072 15617 9519 7178 11644 3005 2920 11033 7467 6823 9986 6898 6095 10354 8420 4765 6853 9472 11032 8287 4054 PYRIDOXINE (CAS# 65-23-6); (M+H)+ Pyridoxine 327534 694541 368070 568330 1315353 602410 1346067 1065724 800321 320156 667596 592199 1524131 838503 398930 925563 508049 549334 1196666 469236 338109 248679 345096 261426 238712 492224 256628 315581 714633 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ MG 14:0 19885 19090 20196 21354 23257 25934 17139 26315 31733 19415 16258 21561 17117 13936 29021 25303 23068 26588 24248 16311 15551 16518 19646 18048 19858 30462 25906 22153 20173 RIBOFLAVIN (CAS# 83-88-5); (M+H)+ Riboflavin 4327 7357 2968 5745 4646 10275 2994 6997 7140 21285 3599 6015 5771 16055 9369 3806 7906 3365 19641 12820 6077 2863 2519 3690 1974 12336 12210 3024 2392 4420 RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ Riboflavin 3958 7820 2829 5025 4725 11501 3022 7353 7075 21056 3933 6026 5335 17061 9362 3134 8625 3472 19911 14484 6592 3474 2588 3928 2433 12200 12842 2608 1636 4623 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ S-Adenosylhomocysteine 6586 6370 3468 6037 4493 58116 24453 25934 17741 48748 2866 4579 1994 3233 1598 11394 9288 16954 24565 39725 4151 1702 4177 2689 1074 7782 15050 4841 5784 5171 S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ S-Adenosylmethionine 99431 53076 102564 59277 34258 47571 39152 42544 46286 34355 43796 64127 35633 44835 126043 55403 41757 41671 51209 30707 45832 65203 53439 23857 35306 46787 36917 46463 45526 SARCOSINE (CAS# 107-97-1); (M+H)+ Sarcosine 219412 185674 193118 201030 225969 92854 122406 159813 163419 180676 118215 151336 164132 169038 130253 196321 151859 147361 174430 169415 167339 SERINE (CAS# 56-45-1); (M+H)+ Serine 16156 15430 15620 31338 24958 15579 28946 26163 10942 15994 15362 20572 15952 17841 21315 17381 21016 12026 15427 12255 13359 12867 11903 14510 SEROTONIN (CAS# 50-67-9); (M+H)+ Serotonin 12219 20230 16328 22149 28655 22193 23525 19808 28952 20439 16161 25822 26977 33831 26183 21464 26486 26149 18259 20124 13551 14515 16374 14434 15547 19382 15312 22131 27725 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ sn-Glycero-3-phosphocholine 5769855 5015094 3331662 5205767 5081644 6273634 3295239 5866812 4520770 2607063 1238727 2068419 810522 6016045 5165820 5655835 4974252 4910755 888468 885513 3232845 1746428 2255318 2603237 1540854 3920627 6354085 4090258 SPERMIDINE (CAS# 124-20-9); (M+H)+ Spermidine 643997 438554 398390 290009 12535 539207 31369 636172 78114 187533 506743 171495 28206 74779 24185 797649 607287 7526 115275 90054 8457 4089 3834 15206 1696 510119 249782 427535 86734 SPERMINE (CAS# 71-44-3); (M+H)+ Spermine 1472908 666615 652070 574032 3336 155630 6494 204392 22341 24582 1531799 346106 42059 103640 21469 806156 555618 1317 30910 65490 1349 1350 21009 141534 1061227 250308 486821 83474 SPHINGANINE (CAS# 764-22-7); (M+H)+ Sphinganine 5704 5194 5532 8427 4724 5268 7075 3297 5305 2739 1542 3087 1439 2180 3485 2566 2102 4121 2587 2873 3522 5208 6245 1394 SPHINGOSINE (CAS# 123-78-4); (M+H)+ Sphingosine 33527 29140 33066 43459 37673 24091 34551 16133 31126 29369 37991 20423 30384 20195 18140 21384 38657 17636 29800 18166 16947 11685 17671 22671 19645 20475 28492 26842 33664 25774 SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O] Sphingosine 11916 8688 12068 14931 10571 7378 11125 4189 8557 9891 11990 6303 10118 5807 4808 7368 12403 9802 3263 4756 3334 4736 6298 5944 4763 10412 9139 12139 8423 SPHINGOSINE (CAS# 123-78-4); (M+NA)+ Sphingosine 45903 37362 42271 55080 48060 34266 50017 43392 45903 52975 25105 44608 23592 24483 30093 52941 26273 46633 26252 23042 27014 33121 27517 38338 52231 33818 STACHYOSE (CAS# 54261-98-2); (M+K)+ Stachyose 4475 6324 1349 1651 3677 1202 1054 STACHYOSE (CAS# 54261-98-2); (M+NA)+ Stachyose 8309 10594 1196 3721 1067 1789 1078 STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+ CAR 18:0 5107 5934 7201 5654 11231 6872 5210 9023 11272 7037 3566 5757 12344 3342 6537 7366 6722 10816 11170 4804 5101 7150 7251 7341 13308 11800 13586 6239 SUBERIC ACID (CAS# 505-48-6); (M+NA)+ Suberic acid 7739 5462 7339 4974 2623 1972 1066 3835 2797 16313 3670 10297 5491 4745 4304 1502 2092 9410 12727 18407 57270 27464 2232 5757 4476 4024 2988 SUCROSE (CAS# 57-50-1); (M+NA)+ Sucrose 8648 12981 11316 12955 7829 7920 10879 11409 10069 11740 16479 1124 20845 14286 7385 9243 9306 9358 15808 10205 12165 8218 6836 9212 TAURINE (CAS# 107-35-7); (M+H)+ Taurine 4954 TAURINE (CAS# 107-35-7); (M+K)+ Taurine 8167 5246 4222 3759 9200 1363 5478 TAURINE (CAS# 107-35-7); (M+NA)+ Taurine 8857 3978 11570 16076 5972 16418 9861 6930 2072 3938 8713 10792 1785 2664 7197 THIAMIN (CAS# 59-43-8); M+ Thiamine 115188 122597 174447 160224 296393 228913 519309 826061 329301 177687 292406 176135 137855 115749 366225 332300 348948 122017 190695 243961 256149 THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] Thiamine 15701 10811 8809 17504 22654 5740 15186 25390 34143 11024 18642 19469 25686 52092 29836 21427 29908 17466 10535 18589 16139 14175 18799 27009 17795 19463 7723 8961 21248 39083 THREONINE (CAS# 72-19-5); (M+H)+[-H2O] Threonine 177881 31297 148297 134913 10372 49232 2800 110110 134523 154307 156173 114421 10310 45073 30749 232008 35369 203645 5015 38083 111135 92881 138517 135679 117395 161794 3852 215655 6846 154069 THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA)+ TMP 33204 14251 16709 11551 TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ Tryptophan 76281 124306 68581 88872 84063 84809 123604 76598 74796 53577 63384 84673 62304 TYROSINE (CAS# 60-18-4); (M+H)+ Tyrosine 4520910 6924285 4663150 6424747 5710827 6688615 3960355 6417458 5908055 11000000 7374312 4991993 7023179 5399407 5833121 8079247 4681958 3762623 3543672 4147212 3226984 4071062 6478108 4064833 4636396 6477368 TYROSINE (CAS# 60-18-4); (M+NA)+ Tyrosine 5038 17957 40717 28054 19878 13205 11670 13021 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+ UDP-N-acetylgalactosamine 39214 26502 17419 25372 20254 38244 24872 38337 26322 25611 43273 53820 50485 57366 48989 38502 41812 30885 15512 39991 46136 36998 51142 46928 34518 18226 22969 14048 23583 34429 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ UDP-N-acetylglucosamine 61225 37260 40136 47002 20866 26436 28344 54098 13353 26959 UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+ UDP-N-acetylglucosamine 19008 28246 40130 31773 6761 13964 11092 25846 11408 49297 9572 14949 24557 12788 53728 6408 32262 URIDINE (CAS# 58-96-8); (M+NA)+ Uridine 3198 6714 UROCANATE (CAS# 104-98-3); (M+H)+ Urocanic acid 1383 6470 1605 19124 14653 35601 78824 10616 VALINE (CAS# 72-18-4); (M+H)+ Valine 1819114 3085864 2343790 2800513 2492787 4381264 4689733 5944965 5765979 5688486 1965665 2912384 2794037 4337119 3301001 2663659 3083096 2854919 2513205 5247168 2504827 2066971 1932089 2239898 1779308 1905261 2637974 1871719 2303819 2983648 VALINE (CAS# 72-18-4); (M+NA)+ Valine 3941 7587 10855 12127 6659 4499 1969 5329 2900 2140 12917 12075 19733 18757 8239 12613 5330 8855 16421 18086 8577 13316 6296 10889 5457 9393 XANTHINE (CAS# 69-89-6); (M+H)+ Xanthine 17045 33180 19348 23715 19287 14617 29249 26520 69732 41461 7441 30887 16046 28362 29970 21355 13975 16049 11749 11326 28579 12493 12303 24642 XANTHOSINE (CAS# 146-80-5); (M+H)+ Xanthosine 6178 10094 6663 6095 4831 35804 15623 24892 28473 29595 5675 7741 5543 4518 4742 13979 18196 18763 22635 20488 10972 2793 18318 8208 9499 17056 ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ trans-Zeatin 1770831 1750735 1785069 1787431 1767255 1812223 1680518 1361787 1887504 1852660 1716061 1777685 1729742 1757647 1762498 1876054 1863674 1904708 1884808 1843046 1740517 1707403 1724180 1653816 1773376 1721694 1792898 1728899 1761643 1856062