Metabolite_name RefMet_name C_100 C_20 C_40 C_60 C_80 L_C1 L_C2 L_C3 LN_C1 LN_C2 LN_C3 N_C1 N_C2 N_C3 SM_100 SM_20 SM_40 SM_60 SM_80 L_SM1 L_SM2 L_SM3 LN_SM1 LN_SM2 LN_SM3 N_SM1 N_SM2 N_SM3 L_UM1 L_UM2 L_UM3 LN_UM1 LN_UM2 LN_UM3 N_UM1 N_UM2 N_UM3 Factors - Matrix:Cell_pool | Sample Type:QC_Titration | Tretment:- Matrix:Cell_pool | Sample Type:QC_Titration | Tretment:- Matrix:Cell_pool | Sample Type:QC_Titration | Tretment:- Matrix:Cell_pool | Sample Type:QC_Titration | Tretment:- Matrix:Cell_pool | Sample Type:QC_Titration | Tretment:- Matrix:Cell | Sample Type:Experiment | Tretment:Lactate Matrix:Cell | Sample Type:Experiment | Tretment:Lactate Matrix:Cell | Sample Type:Experiment | Tretment:Lactate Matrix:Cell | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Cell | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Cell | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Cell | Sample Type:Experiment | Tretment:Nitrate Matrix:Cell | Sample Type:Experiment | Tretment:Nitrate Matrix:Cell | Sample Type:Experiment | Tretment:Nitrate Matrix:Media_pool | Sample Type:QC_Titration | Tretment:- Matrix:Media_pool | Sample Type:QC_Titration | Tretment:- Matrix:Media_pool | Sample Type:QC_Titration | Tretment:- Matrix:Media_pool | Sample Type:QC_Titration | Tretment:- Matrix:Media_pool | Sample Type:QC_Titration | Tretment:- Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Spent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Spent Media | Sample Type:Experiment | Tretment:Nitrate Matrix:Spent Media | Sample Type:Experiment | Tretment:Nitrate Matrix:Spent Media | Sample Type:Experiment | Tretment:Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Lactate+Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Nitrate Matrix:Unspent Media | Sample Type:Experiment | Tretment:Nitrate 3-hydroxynorvaline 3-Hydroxynorvaline 2741 810 1354 1858 2300 1941 1916 1351 5400 4411 4779 536 511 692 14 13 31 37 8 19 3-Methoxytyramine 3-Methoxytyramine 221 154 149 199 200 275 216 220 177 265 308 195 224 257 1909 690 931 1185 1512 1517 1587 1764 1330 1501 1378 1623 1847 1643 1538 1618 1150 1490 1493 1519 1895 1911 1527 3-Methylhistidine 3-Methylhistidine 185 141 114 135 182 220 185 193 136 229 297 210 234 221 9390 2614 4420 6687 8602 8901 8697 9030 7963 8566 8133 8579 10543 9455 8780 10212 7165 8020 10282 8197 13209 13225 9803 5-hydroxytryptophan 5-Hydroxy-tryptophan 378 71 158 238 276 314 322 239 172 235 514 542 710 420 1408 954 1359 1405 1301 2161 1295 2680 2909 1680 2003 3256 1212 982 2610 1178 3891 2494 3049 1301 760 934 2762 5-Methylcytosine 5-Methylcytosine 769 452 496 519 663 690 674 652 509 700 966 714 779 700 5373 2089 2919 3615 4501 4761 4866 5002 4035 4513 4734 4898 5617 5161 4746 5270 4486 4496 5082 4073 6000 5899 5027 Acetaminophen Acetaminophen 404 288 279 306 330 574 496 432 299 343 407 343 338 423 3589 859 1204 1525 2786 1948 1756 2097 5883 4347 3979 3521 5329 5112 2160 2279 1790 4833 5486 5312 5896 6969 4869 Agmatine Agmatine 766 98 261 463 673 625 648 664 267 481 621 1182 1183 1482 6113 2619 3802 4656 5902 6477 6203 6139 5812 6236 5763 5720 5887 6225 5893 5706 5602 6252 5825 5923 6351 5655 5615 Ala-Ala Ala-Ala 19490 3802 8543 12455 15940 28453 27740 26318 26340 22450 23956 10024 8656 8727 11193 4177 6192 8060 9794 10129 10511 10336 7992 8342 8368 7366 8888 8602 13680 14122 14497 9567 10944 9330 12513 12823 11375 Ala-Arg Ala-Arg 1990 274 681 991 1363 1261 1173 992 607 2393 6808 1887 2388 3479 696060 376164 540210 635406 678236 639365 630614 649026 651365 681320 678262 749945 778474 757668 674536 727863 700341 695904 757381 661084 839003 841121 785586 Ala-Glu Ala-Glu 3015 291 1017 1335 2151 3363 3358 3608 991 1265 2791 1955 1961 1957 25019 9004 13676 17693 21104 27354 27838 27100 20324 20907 20467 23813 23445 21623 28316 33205 30804 22755 24114 21015 27474 27583 23314 Ala-His Ala-His 51 4 11 28 25 36 25 29 7 106 248 63 71 134 35914 10114 19070 25460 30923 31099 31994 31392 28555 31824 30076 35994 39925 35613 33383 41371 30199 32507 39814 30850 52472 50653 39573 Ala-Ile Ala-Ile 2210 343 719 1157 1715 2012 1298 846 666 2021 5436 1208 2026 1698 69563 26449 42815 53229 62585 54951 56449 53164 61336 64565 63577 86113 90499 88039 61765 66912 76409 69165 78960 67864 118200 115846 105549 Ala-Lys Ala-Lys 2306 380 803 1370 1864 1270 1271 1011 833 2320 5094 2922 3111 4255 630856 196528 349024 469151 561047 554997 573174 572875 546389 563497 558146 643034 704631 629607 556928 676202 582814 576616 681483 560901 855138 821757 702448 Ala-Met Ala-Met 1036 169 455 611 893 1535 1002 691 539 1601 4064 758 1279 1449 43444 21135 31307 37928 41004 36353 39584 39094 38647 40510 38874 39197 41674 40423 51513 52227 54185 47147 52032 44487 58297 58157 51494 Alanine Alanine 5510 1197 2285 3534 4813 7827 6830 6311 4185 5307 6989 4565 4761 4849 36186 13981 21257 28547 32173 37787 38836 38503 33377 35675 34932 38189 37255 38032 38799 39310 39093 35658 36613 33754 41564 39117 38635 Ala-Phe Ala-Phe 440 159 237 281 366 552 396 335 215 538 1392 376 558 488 21320 7736 14043 17234 18934 20884 21339 20217 18364 17877 18791 21818 20627 21279 25202 26591 22174 18598 19924 18818 26202 26265 23793 Ala-Thr/Thr-Ala 1969 368 805 1221 1561 1819 1421 1382 2274 2872 3635 1830 1665 1581 19392 6962 10617 13882 17399 22905 22015 19613 16388 17624 17327 17773 17467 16678 24613 27359 25741 17900 21161 17983 24535 23797 21529 Arginine Arginine 5 2 5 3 7 8 15 8 3 3 1009 421 500 854 933 764 845 822 607 818 1079 954 667 969 901 1254 620 1166 923 1045 1163 1387 1422 Arg-Met Arg-Met 93 1 6 18 49 14 6 7 132 72 218 14865 8394 11864 12714 16213 16201 15586 17862 15258 15929 17212 17385 16772 14531 17153 17655 16046 14927 16039 14636 19653 20898 20678 Arg-Pro Arg-Pro 3458 366 1017 1811 2663 3046 2593 2441 1366 4093 11330 2586 3443 4534 705654 249236 412357 533219 629586 652538 659669 659545 643991 675487 651063 752468 759121 721941 642968 740027 662102 655442 762515 635429 872958 846880 776090 Asn-Arg Asn-Arg 57 94 86 128 71 141 137 130 103 151 354 186 145 270 47047 19287 30491 37469 43105 34463 36026 36200 35550 41459 39267 51755 58260 52501 35180 46384 39504 39735 53379 37399 77817 75562 59243 Asparagine Asparagine 1900 340 816 1188 1450 1301 1089 778 558 1899 6511 1031 1841 1861 110908 41130 65886 87017 97330 114377 116435 115066 92896 99497 100342 100233 107167 106797 124170 120822 108455 103458 113874 98000 124862 120238 114679 Aspartic acid Aspartic acid 10549 1802 4070 6489 9053 6362 7414 5208 24763 28259 27393 1306 1739 2399 28436 13467 20802 24612 28347 26398 26718 24229 28780 28999 29595 885 6577 11149 37989 40571 39517 34764 36425 33701 42998 41886 38254 Atenolol Atenolol 25 28 33 14 12 26 31 34 5388 369 1667 2554 3349 5005 5375 5719 4205 4029 4401 3621 4898 3512 5693 5107 4873 4971 5467 4998 5417 5510 4329 Betaine Betaine 2306535 690360 1287441 1721033 2096901 2342752 2023332 2075091 1688439 2339740 3204757 2496449 2594570 2581104 7874334 4952085 6351437 6913430 7626965 7894831 7758974 7778806 7470939 7486132 7746363 7445183 7918505 7802219 7897269 8081435 7465613 7913678 7647066 7644957 8118096 8004347 7629901 Biliverdin Biliverdin 18390 1859 8171 11268 15119 19346 15383 4086 15405 9537 12110 22754 22004 20444 Biotin Biotin 759910 302803 529963 579023 793951 985882 887454 737176 919047 940062 1533235 826881 783408 860862 48631 13976 36532 32263 44402 26051 27180 35896 31715 30230 30492 22417 29886 26299 60895 64691 64439 68519 80122 71927 94875 69816 65654 C16 Sphinganine C16 Sphinganine 1575 354 721 966 1201 1127 1043 3752 954 808 972 1670 1436 1373 170 93 169 113 131 117 35 45 51 17 44 19 68 33 82 73 104 19 36 71 C16 Sphingosine C16 Sphingosine 138333 22516 58051 82306 121417 439 480 1280057 334 333 468 78248 382 592 12727 3171 5801 7945 10647 60 121 998 123 163 104 124 111 118 46 79 116 49 17 72 129 143 114 C17 Sphinganine C17 Sphinganine 1629205 1793213 1824921 1737666 1732338 1642958 1696198 1696730 1732905 1682898 1776540 1662085 1722029 1690202 1681145 1761141 1742477 1746509 1710311 1842106 1776531 1828519 1707741 1645734 1589775 1507610 1494652 1528189 1836240 1760374 1479825 1588376 1564954 1622178 1384320 1409523 1525416 C20 Sphingosine C20 Sphingosine 414 47 1620 274 130 2570 20 136 C22 Sphingosine C22 Sphingosine 175 177 219 154 172 28 54 1318 115 114 147 141 117 105 108 99 95 97 80 69 131 104 60 54 126 104 105 104 24 33 27 Caffeine Caffeine 770 1089 483 749 892 713 967 803 867 892 646 828 653 638 306 871 690 555 791 543 503 158 284 318 314 557 462 666 220 275 259 206 293 557 356 315 393 CAR 18:0 CAR 18:0 608 121 262 545 488 109 88 61 1008 2644 640 66 652 209 515 126 131 206 313 33 102 2017 46 1417 46 102 CAR DC3:0;2Me CAR DC3:0;2Me 6 5 423 310 410 428 810 622 148 235 552 222 265 495 549 519 433 252 666 216 210 142 266 364 431 Carnitine Carnitine 6509 3418 4554 6351 5988 7242 6567 6384 5001 6976 10773 5384 6359 6591 52881 20779 32204 39561 46503 53062 52428 53026 50580 51899 52410 49823 53100 51795 52489 56180 48060 51047 55510 49897 56847 55304 51256 Carnosine Carnosine 1143 190 394 679 864 686 469 374 245 1162 3268 740 1221 1410 80496 37317 53621 60863 73524 68769 70933 68748 67218 72411 67164 80295 81139 79365 74030 77363 64223 71695 83570 70181 99687 97013 87341 Choline Choline 409217 78928 185378 259970 338955 328939 292806 318124 311120 397100 498696 540318 519725 511382 1402752 549291 860124 1030854 1245861 1317572 1319345 1383586 1291913 1336950 1356306 1305486 1367296 1334933 1333930 1437343 1316191 1352523 1353510 1354976 1404018 1414702 1347620 Citrulline Citrulline 1292 317 549 1727 1093 1162 951 992 1010 1811 3485 942 1010 1172 61709 24057 36946 46184 55676 64284 63974 63878 53339 56184 55665 62441 63316 60832 63568 70038 63445 54611 62988 53924 72920 70367 60574 Creatine Creatine 1440 1423 1476 1548 1446 1343 1224 1228 1419 1703 2366 990 1191 1164 7687 5531 6435 6922 7352 9859 9962 9817 8022 8139 7849 4969 4613 4866 9790 9765 9743 7877 8540 7694 5099 5106 4577 Creatinine Creatinine 8967 1663 3412 5276 6808 10132 8448 7043 3584 8123 18793 8380 10653 10198 160917 45484 76937 107669 132013 148804 149383 150202 142085 147713 147142 156428 157917 154234 144833 162637 131287 148466 161936 148174 175493 178396 155690 Cytidine Cytidine 4306 614 1899 2597 3905 5061 3851 3100 4383 5826 13707 2295 3016 3052 115195 33160 53390 74007 87476 117108 107914 109140 100988 113657 101814 114762 106195 101517 111380 107119 127405 115191 122837 102887 113914 111118 125002 Cytosine Cytosine 16492 1886 5297 7720 12062 16468 13669 13786 10882 13716 18488 12759 10336 10083 34482 11964 20195 25897 30717 36694 37504 38944 36693 36408 36925 31168 33477 30614 38179 37186 42722 35047 37021 33422 35693 36830 32785 Deoxyadenosine Deoxyadenosine 15605 3763 11015 11324 13806 11684 12361 13989 7562 8181 17318 29495 27627 21568 93597 23156 46584 61734 73812 85729 73022 77832 87284 90752 89782 95925 87181 84528 87778 90554 88795 94954 102914 88950 103123 95836 102300 Deoxycytidine Deoxycytidine 45 7 41 8 34 109 306 281 1034 168 405 562 688 868 636 612 229 659 675 1065 849 1007 778 747 691 749 1068 671 750 1290 738 DG 36:2 DG 36:2 30178 6765 14722 18249 28103 10518 9219 6574 35568 38143 35566 59541 52297 54001 D-N-Acetylgalactosamine 2314 429 1334 1460 2054 2549 2972 2129 1441 1689 2607 1852 1915 1768 18331 3429 6938 9916 14770 19387 16830 19536 14513 17779 18086 21242 19967 14365 14724 16300 16299 15962 17626 15948 20266 18328 17894 DOPA DOPA 93 8 37 74 79 69 28 44 55 168 546 36 175 155 8090 3323 5251 6194 7043 7926 8067 8466 6589 6364 6357 6818 7141 7587 9134 9780 9523 7534 7248 6975 7994 8371 7577 Ectoine Ectoine 736 325 397 468 710 968 810 759 524 792 1344 756 753 811 4256 2549 3792 4209 4095 4511 4611 4149 3946 4305 5136 3613 4056 3908 4600 4178 3682 4243 4150 4554 4274 3558 3580 Glu-Ile Glu-Ile 21059 3619 8376 12893 17375 18176 14518 10884 8871 19615 38437 16242 19905 21050 422231 152284 233112 295469 351026 292625 303999 299360 405792 436127 430891 599859 642032 600994 315932 326816 358541 421235 515886 404677 719984 699356 577175 Gly-Arg Gly-Arg 6 22 24 1774 400 1281 1479 905 1281 1068 1109 1310 1485 1787 914 1122 1223 1082 1550 1490 1555 1464 1265 1452 1928 1262 Gly-Pro Gly-Pro 923 162 346 556 698 1041 985 867 480 951 1942 601 781 838 60829 14590 27741 41647 52721 61510 61033 61791 52325 54237 54430 58671 63305 59872 60161 68636 47737 54714 61935 52260 73829 69156 59435 Guanosine Guanosine 55692 8530 30080 36543 49478 86261 87059 82651 21166 32798 64056 31071 34631 36862 493897 121202 223404 278124 393814 465263 404406 428568 415454 473247 466205 490716 430647 419098 445008 501379 460860 459085 529059 442231 527119 430861 495041 hemin 198840 23833 39555 91145 158224 18526 20105 38375 183038 192138 187526 632128 525930 593655 His-Ile His-Ile 3557 652 1401 2184 2810 3151 2451 1363 1166 4359 13625 2502 3760 5074 823754 241668 400418 565147 725138 760534 726428 788058 713108 730220 625870 754028 934313 846065 831228 903675 730523 772696 818996 668428 1222410 1033632 940688 His-Phe His-Phe 1121 118 416 694 935 766 613 452 306 1345 4199 693 1113 1401 127725 52788 79813 97798 114231 116694 124817 121673 107149 115680 109991 133076 144350 131800 119765 133806 124386 118775 129859 108895 155629 162308 149639 His-Pro His-Pro 194 17 59 78 112 122 114 92 48 238 555 103 175 248 38720 8989 17948 25384 31891 37753 38337 37130 33138 37217 34597 37378 38080 34412 37452 45532 35242 37400 43973 33069 47399 45215 39336 Histidine Histidine 19625 3527 7635 12892 16081 12198 11241 11436 6662 15944 30087 34409 28543 34478 783941 319807 502528 623254 720482 745529 753814 750990 724941 763022 750455 793328 846326 818039 721323 823291 726255 744081 830289 709997 943217 916685 799367 His-Val His-Val 1319 180 505 756 1178 1045 633 437 352 1622 4316 928 1597 1752 152027 56254 90117 116204 135271 130301 141457 137600 123889 128358 123080 138830 143393 142248 152032 168013 142653 139147 159853 134586 170722 181239 156858 Homocitrulline Homocitrulline 286 44 123 161 231 352 357 291 161 171 336 356 403 353 2425 1120 1511 1882 2032 2586 2608 2430 2202 2087 2320 2413 2334 2652 2349 2668 2795 2063 2312 2210 3198 2399 2290 Hydroxyproline Hydroxyproline 973 137 439 620 851 2259 2441 2114 620 855 1137 39 31 42 112 86 248 275 302 161 45 510 139 83 104 117 104 166 180 136 265 170 61 179 80 76 119 Hypoxanthine Hypoxanthine 175250 50737 119690 145997 186628 159109 97696 74339 185604 375882 502406 137186 162557 169317 1784223 512625 873809 1050762 1355687 2102360 1956040 2183534 1500764 1590530 1561486 1182087 1440712 1450389 1390247 1558164 1402209 1514568 1660042 1432679 1800004 1668623 1579415 Ile-Gln Ile-Gln 3312 965 1794 2460 2892 2271 2021 1858 1348 1300 1439 6358 5646 5101 29 28 35 57 41 41 155 280 81 47 35 30 71 Ile-Met Ile-Met 390 38 115 190 300 351 266 102 153 421 1463 285 399 446 100814 10667 37201 59664 81364 81358 76891 79935 78877 78543 78841 93823 97826 95937 87391 97577 81950 96899 101937 85173 132734 124190 112009 Leu-Phe Leu-Phe 2005 285 548 959 1347 2555 1526 1033 684 2017 9229 1870 2914 2937 327318 68526 147889 200930 259834 275026 286300 274553 285598 305336 286851 281786 301902 293104 307708 340902 383716 320278 366925 300667 403711 411480 318268 Leu-Tyr Leu-Tyr 850 131 344 498 630 831 607 404 305 817 2356 448 812 788 157638 16847 49173 80815 113050 132226 122021 133465 128215 138387 137480 133255 138388 132182 136953 151157 154228 139332 166860 129874 179796 173486 155657 L-Histidinol L-Histidinol 1030 512 567 694 852 800 803 739 528 697 928 1320 1260 1378 18186 7763 11194 13874 16611 16379 16943 17317 16589 17489 18166 17429 19760 19259 16195 18053 16521 17401 18198 17037 20799 20100 17334 LPC 16:1 LPC 16:1 10715 1439 4213 6843 9392 35616 31504 30546 555 498 LPE 15:0 LPE 15:0 2248 325 935 1080 1701 3362 3918 3266 1600 1712 1937 1306 928 722 LPE 16:1 LPE 16:1 5663 832 2614 2812 4073 5561 6357 5500 2579 2461 2577 8476 6916 6704 18 LPE 18:1 LPE 18:1 6991 1436 3887 4220 6221 8344 8089 7964 7525 5165 5173 9607 8314 7601 Lys-Gln Lys-Gln 331 18 88 189 281 152 159 123 73 206 482 502 482 747 107070 28326 60575 82219 100970 89116 89552 89351 88206 96010 91575 111698 125470 114433 89951 120653 88244 94422 130651 95550 177875 167703 130315 Lys-Gly Lys-Gly 493 74 180 291 369 286 260 223 141 602 1167 409 594 965 151580 39791 78607 108264 134626 124559 128179 126774 122617 134201 130765 161984 183582 165338 120406 160931 122800 130078 173549 128519 235412 227669 180425 Lys-Ile Lys-Ile 13835 1819 4839 7441 11535 13224 11781 9922 5805 15294 37716 12982 17623 22617 1359693 433840 763638 1026115 1231695 1297927 1374566 1364927 1243252 1326445 1217565 1368783 1428361 1369384 1341716 1448347 1357661 1307404 1431668 1215448 1483307 1489950 1369714 Lysine Lysine 6 3 4 3 9 4 2 18 14 3 9 16 951 392 603 739 928 1036 1044 1165 1018 1168 916 1018 674 1160 1019 925 752 930 922 935 898 1283 1219 Lys-Pro Lys-Pro 21 9 24 15 21 56 18 33 77 10 17 45 3772 1069 1613 2422 2956 3698 3924 3760 4327 3981 3910 3779 3561 2380 3863 4450 3809 3781 4518 3413 3518 4072 4376 Lys-Ser Lys-Ser 332 21 107 195 232 157 150 125 109 483 975 394 528 869 133077 40307 73958 99749 120072 102362 104648 105623 99815 115036 113687 139017 167806 150329 101834 140709 116447 113214 147696 108909 227000 218780 160964 Lys-Tyr Lys-Tyr 368 54 105 301 312 427 347 241 128 414 1233 357 458 763 140033 34673 70982 97286 124813 132044 132035 136462 123589 129906 129283 144256 158875 153427 131491 157177 102725 132577 163205 122273 187428 181693 160067 Methionine Methionine 90580 9837 31313 50714 73056 65847 61579 60841 54641 80656 126399 133530 117347 116576 892620 272266 469338 612518 761468 824133 822801 854160 827224 854464 851591 883758 907200 881535 838685 922144 857104 859607 936931 825606 1011003 983700 900794 Methionine sulfoxide Methionine sulfoxide 3818 788 1762 2466 3073 5200 4893 4261 2177 5167 9886 1419 1970 2062 245927 65208 116953 166127 207076 287520 290244 298160 242299 260544 256666 149742 172913 161514 285248 317022 255601 247538 267043 241321 205688 195949 167752 Met-Lys/Lys-Met 141 32 103 141 141 134 154 6 214 563 297 335 487 20136 7871 12373 15127 18538 19552 18200 19590 17614 17638 17541 21792 20531 21968 19071 20212 20256 18877 20233 18624 22350 23661 19564 Met-Val Met-Val 394 86 151 268 403 347 252 170 161 373 1680 190 487 487 44412 7496 16887 23868 33145 30595 29130 31030 28555 28915 29940 44899 43112 45028 35814 41588 32198 35114 41941 32147 67768 63466 53441 myristoleate Myristoleic acid 1017 942 1090 961 902 2046 1416 1851 1631 1358 1507 1512 1217 1699 1449 981 1050 1360 1750 1538 1837 1857 1071 1492 1032 1321 1837 1507 3617 1963 1037 1284 1567 1354 1233 1076 1212 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 1738 1197 1582 1817 1932 2473 2063 1992 1988 2371 2886 1987 2076 2102 22475 6236 10075 11403 16346 22424 19005 21406 24964 22228 20747 31443 29613 30791 14879 17228 17615 23762 25760 19782 28193 27256 24995 N6-Acetyllysine N6-Acetyllysine 12 3 6 16 22 49 51 57 9 24 33 13 11 15 835 389 402 828 993 1023 903 843 936 909 901 989 746 883 1058 1097 1107 994 1178 988 1150 1261 1191 N6-Methyladenosine N6-Methyladenosine 17198 3714 7971 8693 14040 14529 14991 15264 10272 17718 35302 12220 17243 16957 456768 68608 146876 234024 317908 411208 389704 425910 390767 409682 396943 386990 403193 378783 419699 457454 428952 419535 496766 395432 512470 458229 409759 N(6)-Methyllysine N(6)-Methyllysine 54 40 16 74 72 95 60 99 41 150 337 73 75 131 33815 10996 19186 25644 30251 31214 32331 31928 30766 33133 33194 32550 35447 33005 31551 35470 31304 31728 34728 30986 40580 39651 33652 N(6)_N(6)-Dimethyl-lysine N(6),N(6)-Dimethyl-lysine 2211 295 742 1164 1752 1662 1402 1399 934 2172 4502 1988 1881 2364 142783 53538 84276 104573 129030 140349 142025 139531 141271 143141 139985 154101 150540 148051 144080 151136 120608 138383 156905 135329 167375 159384 155383 N-6-Trimethyllysine N-6-Trimethyllysine 64806 10484 25141 37194 50956 58989 53259 56012 24521 34077 46670 121619 92443 93133 446451 150563 236737 300320 369530 432849 441753 436936 438317 450316 449311 465111 453934 428349 449360 465243 376568 445937 488696 423910 491291 470663 468044 N-Acetylarginine N-Acetylarginine 34052 7653 17771 23282 30844 21762 22895 23199 56946 62688 63731 25159 24099 27503 26927 16320 19981 22965 25365 27408 29429 29087 26640 26486 26205 25666 26934 26277 28298 30263 30487 25387 26855 25234 28602 27929 26043 N-Acetylglutamic acid N-Acetylglutamic acid 3220 335 1170 1388 2598 3731 4042 3664 3189 3260 3723 2720 2389 1989 10255 2823 5416 6048 7970 8228 7498 9329 9790 9921 10447 11512 10754 9104 8738 10056 6646 9328 11088 7492 12347 11045 11377 N-Acetylhistamine N-Acetylhistamine 452 334 324 334 400 469 442 448 345 421 526 444 455 479 2658 1465 1953 2334 2421 2758 2907 2883 2861 2774 2970 2095 2114 2118 2911 2933 3348 2895 2905 2839 2039 2194 2017 N-Acetylhistidine N-Acetylhistidine 1324 279 572 1983 1106 1017 939 979 1053 2261 4857 742 880 1080 19902 15332 16329 16648 18270 24019 23865 24602 21293 21136 21632 14211 12996 12855 23527 23591 24555 20550 21432 20702 12474 12407 12368 N-Acetylleucine N-Acetylleucine 148 74 35 131 87 119 130 79 111 94 257 166 146 122 735 283 576 209 135 264 446 302 537 513 185 696 496 484 358 368 574 348 388 781 141 353 Nicotinic acid Nicotinic acid 129142 40775 77490 89619 109645 123234 123322 85551 66368 120172 253056 119639 156506 151852 1700734 524869 812084 1042822 1421580 1533674 1555952 1596444 1643929 1415308 1389409 1570445 1568332 1509242 1457886 1583920 1439986 1340731 1370418 1260351 1457767 1351995 1338573 Nicotinuric acid Nicotinuric acid 25 6 12 21 56 29 52 11 43 56 24 51 42 931 287 440 601 652 585 665 769 584 890 787 932 917 914 882 844 1234 912 948 647 1216 1114 897 N-Methylserotonin N-Methylserotonin 65 25 29 46 59 85 68 68 44 84 85 80 67 82 797 196 344 404 666 597 661 868 667 721 712 710 537 713 703 717 629 643 602 704 752 818 524 Norharmane beta-Carboline 1160749 214976 513428 717368 1017941 1841996 1793866 1579542 1655044 1791810 1789096 482947 392944 352879 146235 33959 62965 91022 120826 173882 167006 178441 185140 199062 196401 53180 54169 52253 180481 193694 198068 199019 221438 182463 71437 66714 70207 Oleoyl-EA Oleoyl-EA 1247 1107 1037 836 1250 2225 1651 1425 1579 1667 632 704 976 688 1309 397 700 1020 1189 803 87 261 2692 3062 2074 748 1021 887 181 1063 562 2489 1663 451 3993 1863 1031 Pantothenic acid Pantothenic acid 393482 97117 211385 318957 374182 433206 334051 254500 382585 328397 479080 487315 413465 499123 1312636 351031 729765 896531 1173008 1052262 949450 1111792 1054819 1243097 1161224 875931 1177098 1306709 1005472 1040664 972880 1314430 1248198 1371122 1576872 1258202 1162343 PE 30:0 PE 30:0 651 187 299 314 1288 1845 1534 1107 2015 2350 2118 1039 1223 1223 PE 34:2 PE 34:2 9318 1519 5108 6970 8319 4244 4714 3032 8271 8552 8134 18153 16976 21626 Phe-Glu Phe-Glu 477 43 133 316 538 862 1013 662 275 424 682 97 191 68 4651 1018 2402 2716 4108 3307 3934 3931 4456 4200 4426 7074 6603 6327 3831 4302 4088 3673 4490 3887 6122 6268 6085 Phe-Gly Phe-Gly 584 121 290 389 495 398 291 197 221 459 1311 345 489 552 13909 6070 8747 10735 12705 10434 10046 10669 11762 12626 12717 20610 20766 19955 10922 11481 12290 12661 14555 12931 25401 24768 22170 Phe-Ile Phe-Ile 1134 61 247 354 597 732 533 368 202 754 2819 552 977 824 150782 20968 58031 79573 114663 120549 120210 120896 105639 124559 118018 139352 138750 130744 138997 146425 78897 139045 157464 117307 192192 166213 165117 Phe-Lys Phe-Lys 55 15 38 64 21 12 12 19 57 149 48 51 40 12838 4278 6905 8952 12320 12367 13112 14785 11861 12983 11789 13556 12127 9737 11872 14351 12637 13461 13952 12794 12136 14388 14714 Phe-Met Phe-Met 133 111 116 103 105 164 149 142 114 129 223 111 133 147 11919 1189 3585 5922 8148 9507 9451 9104 9765 10357 9952 9535 10097 9774 10550 12082 14873 10818 13392 10681 13857 13495 11719 Phenylalanine-d8 [iSTD] 155649 125817 144936 153854 155583 168666 159448 159866 157425 148482 158109 156461 154849 157764 107293 157659 137955 123203 111233 97921 98926 103772 106009 99680 96895 97090 100419 101792 107329 94795 91851 102452 92007 101972 94709 89815 95502 Phe-Ser Phe-Ser 16 5 9 11 30 32 19 16 126 19 42 35 726 816 914 945 1056 774 804 857 521 584 560 1409 1280 924 1061 580 724 584 528 777 1081 1097 1433 Phe-Thr Phe-Thr 44 5 14 30 51 20 26 3 49 165 32 35 49 1526 1106 1573 1657 1686 1484 1418 1416 1174 1093 965 2182 2226 1881 1938 1503 1328 1148 1081 1188 2283 2347 2443 Phe-Trp Phe-Trp 38 10 28 154 9 60 11 5106 1144 2604 3401 3592 5004 4654 3854 4517 4379 4116 6144 5777 5306 4565 4352 4586 4728 5131 4098 5336 6755 5517 Phe-Tyr Phe-Tyr 125 44 91 64 191 176 80 90 147 612 33 166 90 16991 4140 7858 10342 12506 14151 15567 14543 13509 14815 14448 16162 16503 14560 15106 15761 15444 14923 16875 13211 19008 18534 16753 Pipecolic acid Pipecolic acid 2439 942 1264 1541 2371 4316 3980 3807 2071 2809 2702 1596 1881 2971 6012 4822 4678 4922 6648 6794 6421 6679 5011 5139 5353 5189 6842 6276 6358 7847 6896 5478 5503 6264 6820 6544 5525 Pro-Ala/Ala-Pro 4 3 3 21 3 21 13 8 10 25 13 14 2877 870 1339 1902 2527 2982 2727 2037 2416 2862 2375 2682 2976 2858 2763 2607 2876 2360 2853 2308 3511 3086 2887 Proline betaine Proline betaine 224 148 155 189 233 251 232 253 207 291 304 307 236 317 1033 602 856 885 977 585 606 621 498 516 583 329 679 705 524 567 443 690 487 655 621 816 377 Pterin Pterin 10368 1910 5361 7378 11826 15080 12651 11470 14024 12276 24433 14826 12238 14890 136806 21177 53207 62645 92304 106119 80878 90765 95065 110527 106173 112983 125075 102772 92924 114792 96486 113366 140117 113628 156188 131779 128575 Putrescine Putrescine 4090 1977 2798 3592 3943 3478 3426 3539 2212 2353 2044 6159 5557 5786 28 3 32 24 72 24 7 8 8 10 Ser-Arg Ser-Arg 901 167 572 797 325 215 301 120 1351 2731 1113 1321 2062 78681 40939 54426 64325 71626 59178 62782 62049 63409 68073 62088 79067 89287 83755 58905 76590 65056 63650 85700 65331 120949 116462 89201 Ser-Ile Ser-Ile 3962 934 1997 2766 3549 4155 3055 2102 2009 5462 13030 2861 4132 5069 184423 72747 122633 145865 174246 170475 182750 167536 161217 163552 172228 175949 206685 179534 191988 208218 198800 181785 186921 166307 218204 238308 209033 Serine Serine 304 89 187 290 270 220 194 159 142 334 825 163 287 332 10317 4991 7090 8051 9044 11980 12025 12210 8510 8717 8665 9348 10298 9169 12397 13112 11312 8973 9201 8199 11158 10344 9431 Serotonin Serotonin 114 14 33 65 79 140 105 81 46 111 244 87 101 104 1546 407 645 1041 1191 1497 1463 1537 1439 1423 1556 1412 1232 1357 1382 1617 1305 1487 1627 1287 1440 1167 1195 Ser-Pro/Pro-Ser 2725 521 1219 1819 2228 2391 2062 1569 1216 3285 8610 2012 2902 3278 190121 72412 111388 141791 170465 182528 185077 183276 157056 165482 161164 196247 209357 195964 187812 211954 191426 169379 189743 161171 243264 240896 214435 Ser-Thr Ser-Thr 3289 605 1301 1976 2752 2270 2047 1686 2523 3243 5076 5068 4046 4039 43722 16037 24293 30504 37871 42745 42314 41569 36111 37152 36377 41196 42723 40536 49434 51401 50255 40305 45216 38321 54031 52672 46877 Ser-Trp Ser-Trp 2832 1036 3639 3633 3486 4038 3849 3052 3298 1899 1869 2466 2951 1877 21571 3302 7452 11387 15756 16319 17578 18280 17389 18820 19858 20097 18822 19301 19424 22585 24084 17763 22504 18402 22930 22430 21638 S-Methylcysteine S-oxide S-Methylcysteine S-oxide 412 109 207 305 357 392 414 353 293 395 328 681 559 640 113 41 62 76 88 71 68 83 70 55 114 167 39 67 84 252 148 100 223 48 109 210 102 sn-Glycero-3-phosphocholine sn-Glycero-3-phosphocholine 359498 50920 108663 180620 269048 351186 276872 252388 134512 316917 864961 221452 313655 332475 12540112 4680351 7575822 9701106 11445317 12375242 12505434 12576572 11886625 12215269 12095946 12518782 12681532 12462165 12690378 13365929 12398022 12202818 12728364 11915250 14039395 13669244 12626791 Sphinganine Sphinganine 61 23 851 Targinine Targinine 195 15 66 102 168 122 119 115 58 174 434 155 189 303 7896 3238 4346 6199 7033 7399 7289 7969 7494 7454 7700 7922 8276 7865 7633 7076 7066 7378 7662 7520 8824 8240 7806 Taurine Taurine 322 81 144 218 225 265 214 245 156 344 543 172 266 222 6796 1541 2892 4290 5265 6451 5939 6091 6107 6480 6525 6105 6713 6553 6348 6673 6402 6162 7218 5713 7241 7540 6042 Thiamine Thiamine 708565 113619 270526 415847 605909 742405 651405 674833 333200 359650 381598 1436673 1200435 966077 295773 84891 158406 209335 259668 283625 281645 287399 284791 283275 291921 302544 311010 299415 283440 296388 276709 281463 308564 277251 328748 325592 311458 Thr-Arg Thr-Arg 4272 128 669 2037 3098 1751 1856 1476 860 4763 10816 3634 4926 7519 225985 125390 165010 187895 207731 190721 195961 189169 202529 211948 193191 235554 245756 228975 191523 215716 201694 197141 241950 202068 293479 287200 240859 Threonine Threonine 1003 482 674 859 895 981 991 1103 736 1293 2073 619 834 873 11864 11470 12741 12549 12289 29133 31372 29706 8330 8200 8595 8394 9518 8911 28896 29694 32050 8154 7752 8598 10604 9831 9039 Thr-Gln Thr-Gln 12 4 77 10 2062 618 1421 1651 1755 1703 1476 1750 1664 1746 1385 1566 1563 1421 2109 2259 2572 1909 2363 1931 2851 2678 2442 Thr-Glu Thr-Glu 34 77 4532 1230 2197 3506 3917 4520 4656 4111 3438 3425 3743 3846 4974 4997 4677 4431 5295 4084 4051 3958 6275 4604 6074 Thr-Ile Thr-Ile 3312 512 1340 2007 2787 3412 2467 1642 1284 3842 11595 2299 3269 3611 199476 61003 113420 140942 178117 164177 163008 166596 152244 151203 157650 208919 211401 209389 190442 202930 169062 167160 190538 163727 309240 297959 256298 Thr-Pro Thr-Pro 3468 555 1266 2024 2747 3304 2823 2168 1101 3926 10171 2479 3924 4689 143947 56487 85230 110999 129409 137401 140981 138246 120031 124401 125082 154954 162017 155302 139544 150751 141118 124130 135722 120500 179482 176399 153735 Thr-Thr Thr-Thr 774 103 228 446 472 368 219 92 234 630 2024 715 718 749 31354 12015 19660 23637 28180 33205 33433 31692 25618 28000 25966 24309 25872 28115 36519 37884 38278 28352 31489 28181 36514 36185 32232 Thr-Trp Thr-Trp 139 35 39 71 65 166 84 49 38 188 347 95 129 123 50339 3575 13731 28166 39165 46349 44484 45403 41185 45152 45068 44478 49174 46140 49067 49469 34257 45197 53518 43723 51324 50390 46520 Thr-Tyr Thr-Tyr 230 23 99 127 170 265 133 58 72 434 1099 133 379 271 60626 7249 20011 29766 41094 45144 41960 46955 37769 43792 44787 59950 56226 56857 40679 50206 37616 48434 53514 43076 68170 62845 59924 Triethanolamine Triethanolamine 3053 3680 3157 6121 4081 876 11990 2281 771 1076 948 2684 2046 1306 1526 1814 1620 1344 1600 1425 422 1001 3629 737 804 2736 331 1008 511 1736 1947 4956 526 699 866 414 755 Triisopropanolamine 2135 2939 1338 1356 1787 1938 1889 1671 2078 1289 1239 1502 2275 1638 1086 1117 726 597 738 812 480 971 968 518 650 220 313 658 657 462 1030 275 192 643 426 578 511 Trp-Gly Trp-Gly 431 45 152 255 314 372 274 219 169 706 1664 238 425 709 42405 7647 16916 25208 31845 40700 33264 39100 33932 37653 35633 40586 38788 40095 35791 41063 32069 38269 39493 34150 44264 41311 40710 Trp-Val Trp-Val 398 34 89 181 285 572 301 200 90 388 1405 224 433 389 52419 9884 19605 26800 37724 40535 41173 40379 39222 42211 42861 55131 50447 49452 39905 45954 39411 48372 55308 40648 64751 61759 55140 Tryptamine Tryptamine 207 81 112 127 163 179 160 127 124 191 272 205 184 178 1351 403 699 833 978 1404 1381 1460 1370 1452 1457 942 967 969 1496 1539 1906 1397 1432 1364 961 961 911 Tyramine Tyramine 193 208 207 135 210 230 202 229 263 218 220 197 202 190 462 252 355 387 459 540 471 477 459 547 421 449 464 520 478 418 973 488 532 501 509 548 449 Tyr-Leu Tyr-Leu 1054 93 268 480 628 995 654 420 216 845 3254 509 936 981 98664 22629 39751 55646 72568 86084 87142 85376 80338 86693 84004 93003 91439 85205 88262 93248 84550 93430 102898 80372 110393 101883 93127 Tyrosine Tyrosine 53 17 41 39 52 81 71 67 39 68 109 68 72 92 3375 445 1080 1705 2499 2799 2436 2751 2456 2503 2613 2596 3009 2795 2690 3251 3132 3008 3410 2749 3886 3630 3163 Tyr-Pro Tyr-Pro 19764 1444 8770 12463 17230 18678 14728 9964 8415 30453 78969 13995 23986 27355 213596 191453 261379 295199 279481 351160 331746 344314 153723 125812 137932 142476 138325 147157 322196 341391 329514 131669 114688 142449 119438 127288 143028 Tyr-Tyr Tyr-Tyr 10 4 1 2 72 3 1 4234 1166 1710 2135 3017 2937 3490 3634 2958 3270 3012 4181 3752 3649 3347 3835 4260 3486 3739 3083 4689 4513 3820 Tyr-Val Tyr-Val 512 265 315 376 416 543 407 310 262 465 1268 386 450 472 72409 8358 24275 39788 52000 59153 56395 61028 57688 63824 64562 62568 62579 60365 64272 70806 69274 67331 76436 60611 84028 79213 73387 Urocanic acid Urocanic acid 4329 2631 2223 380190 2449 3021 2146 2009 1255 3112 3132 2670 2126 2257 4894 2401 3705 3948 5909 3902 3962 4135 4750 9946 8921 4358 6828 2867 3764 8060 4833 9749 5002 3823 4642 10139 4160 Val-Ala Val-Ala 3 8 5 27 9 676 391 335 333 400 633 520 511 748 351 385 497 459 566 618 652 821 455 896 457 895 808 770 Val-Arg/Val-Arg 3860 428 1063 2039 2858 2289 1773 1365 1045 4073 13699 3204 4307 5723 448624 205278 296350 372183 405405 423484 457661 482629 448380 439948 430633 476530 467262 438540 458842 443822 438052 421304 461476 418504 504984 484332 466877 Val-Asn Val-Asn 801 92 308 458 598 683 454 268 200 709 2643 343 786 805 51354 17689 26461 35409 43292 54844 55547 52043 39617 43066 43437 44322 45797 44851 62954 68710 62189 46853 52529 46300 60727 60914 52713 Val-Asp Val-Asp 185 40 109 147 94 183 168 150 77 131 262 73 99 146 5695 1371 1918 3063 3969 6552 5426 5451 4267 5175 4877 5028 5326 4768 5674 7596 8963 4682 6022 4714 6822 6718 4939 Val-Gln Val-Gln 1382 252 537 816 1108 1244 969 684 473 1475 4359 876 1459 1465 101410 43419 58433 76196 91545 103071 106540 101584 77146 78670 79284 84581 92382 89084 123390 132883 122101 93663 106573 90004 131519 126901 108006 Val-Gly Val-Gly 21 28 15 119 896 20 46 56 11444 4069 6768 8712 9935 13087 13581 12961 9338 10137 9298 10196 9732 9761 13714 15879 16121 11032 12552 10531 12930 13576 12962 Val-His Val-His 756 49 176 405 509 386 413 225 152 839 2009 336 549 786 78742 25573 43478 56801 67857 71499 73603 72219 69984 70528 66804 73172 79893 74721 76104 81640 66199 72517 82803 70277 88904 90861 81282 Valine-d8 [iSTD] 14569 18423 17751 16422 15418 16988 16614 16105 17426 16913 16112 15161 15425 17103 6239 14647 11271 8611 7940 7037 7027 7073 6767 6229 6543 6445 6598 6662 7587 6293 6363 6268 5702 7061 5851 6104 6541 Val-Pro Val-Pro 12107 2701 6498 8397 10149 11601 9163 7918 5638 12496 25352 8794 12047 12630 203674 99024 133789 163528 188651 218608 215423 222416 177250 170044 169393 158982 178017 165967 247655 267197 250964 199338 191867 190354 223945 214286 196660 Val-Ser Val-Ser 393 114 95 506 469 288 334 146 166 536 1738 306 459 462 21338 9558 13187 16702 18735 22840 22513 23360 17684 17993 17029 19528 20134 20801 25551 29598 26524 21255 21318 19862 22645 23312 21747