#METABOLOMICS WORKBENCH michaelsa93_20151130_9118901_mwtab.txt DATATRACK_ID:440 efahy_20160119_131540 STUDY_ID:ST000329 ANALYSIS_ID:AN000525 PROJECT_ID:PR000264 VERSION 1 CREATED_ON January 15, 2016, 12:53 pm #PROJECT PR:PROJECT_TITLE Minimal change disease and focal segmental sclerosis in urine PR:PROJECT_SUMMARY This study will investigate if urine metabolomics can help understand the PR:PROJECT_SUMMARY pathophysiology of glomerular diseases. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE U24DK097154 #STUDY ST:STUDY_TITLE Minimal change disease and focal segmental sclerosis in urine ST:STUDY_SUMMARY This study will investigate if urine metabolomics can help understand the ST:STUDY_SUMMARY pathophysiology of glomerular diseases. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, ST:ADDRESS CA 95616 ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 6 ST:TOTAL_SUBJECTS 60 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 2 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 3 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 4 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 5 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 6 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 7 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 8 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 9 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 10 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 11 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 12 Sample type:MCD SUBJECT_SAMPLE_FACTORS - 13 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 14 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 15 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 16 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 17 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 18 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 19 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 20 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 22 Sample type:FSGS SUBJECT_SAMPLE_FACTORS - 23 Sample type:Control SUBJECT_SAMPLE_FACTORS - 24 Sample type:Control SUBJECT_SAMPLE_FACTORS - 25 Sample type:Control SUBJECT_SAMPLE_FACTORS - 26 Sample type:Control SUBJECT_SAMPLE_FACTORS - 27 Sample type:Control SUBJECT_SAMPLE_FACTORS - 28 Sample type:Control SUBJECT_SAMPLE_FACTORS - 29 Sample type:Control SUBJECT_SAMPLE_FACTORS - 30 Sample type:Control SUBJECT_SAMPLE_FACTORS - 31 Sample type:Control SUBJECT_SAMPLE_FACTORS - 32 Sample type:Control #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY There are 12 patient urines with minimal change disease (MCD), 9 patient urines TR:TREATMENT_SUMMARY with focal segmental sclerosis (FSGS), and 10 urines from healthy controls TR:TREATMENT_PROTOCOL_FILENAME StudyDesign-ElifErkan-102414.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME .pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Unspecified CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:COLUMN_NAME 1.7um Pre-Column CH:FLOW_GRADIENT 15% B to 99% B CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 65 C CH:METHODS_FILENAME Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf CH:SOLVENT_A 60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid CH:COLUMN_PRESSURE 450-850 bar CH:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary CH:SAMPLE_INJECTION 1.67 uL CH:ANALYTICAL_TIME 13 min CH:CAPILLARY_VOLTAGE 3500 CH:TIME_PROGRAM 15 min CH:WEAK_WASH_SOLVENT_NAME Isopropanol CH:WEAK_WASH_VOLUME 5 seconds CH:STRONG_WASH_SOLVENT_NAME Isopropanol CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:DETECTOR_TYPE TOF MCP AN:SOFTWARE_VERSION MassHunter AN:DATA_FORMAT .d #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 8 l/min MS:DRY_GAS_TEMP 325 MS:FRAGMENT_VOLTAGE 120 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Pos MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:RESOLUTION_SETTING Extended Dynamic Range MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 22 23 24 25 26 27 28 29 30 31 32 Factors Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:MCD Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:FSGS Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Sample type:Control Acylcarnitine C10:0 19509 2117 31 28 25084 30634 18373 33 38 9399 3415 1780 14787 22036 36 34533 2789 14538 19 4690 4791 7300 17485 14432 14002 22355 219 473 8950 92317 Acylcarnitine C12:0 7233 4228 3874 5675 33267 67237 11674 2820 3296 16414 16252 5324 800 6660 365 11707 506 3331 3864 2026 1841 4669 6586 4032 852 3131 128 2832 581 8822 Acylcarnitine C16:0 1422 633 691 504 13865 17851 2943 2016 1017 1364 6700 1543 69 1584 160 2591 1005 813 7513 993 53 432 405 246 123 262 165 783 156 493 Acylcarnitine C18:0 1095 439 579 391 8951 5292 1688 1046 998 615 3532 1098 213 1717 186 1339 955 1239 4709 635 282 836 447 5649 219 381 364 853 211 642 Acylcarnitine C18:1 1255 213 1071 92 16075 18378 3862 2276 586 986 9270 888 222 790 86 2935 817 123 16053 703 134 149 164 247 215 68 384 411 262 154 Acylcarnitine C18:2 1651 268 1456 416 17367 19550 6464 4077 569 1479 12979 1414 902 840 187 5080 858 722 14629 1448 188 135 187 260 154 130 161 386 108 168 CE (18:1) 5239 1660 2458 1016 24148 6259 2919 11916 30232 2842 27487 28849 13808 7345 1106 3513 1976 16937 399379 2952 1175 2019 1985 1791 2002 1267 7371 3133 1150 1429 CE (18:2) 47552 7160 3727 2434 107218 41509 19226 84110 106454 22334 157348 31721 88767 28760 2421 11454 17513 46858 1397179 20538 1883 12146 10503 3607 7971 4844 68614 20562 2105 2587 CE (20:4) 8577 1368 674 531 15939 6473 4175 13543 8522 3349 21310 5286 15618 4287 524 4185 3594 9063 492626 3925 390 1525 1630 603 2448 1108 10536 2982 586 938 CE (22:6) 156 164 281 152 3518 1485 549 183 1973 103 5149 23527 2405 785 192 671 349 3661 218801 830 179 467 463 479 437 239 910 389 167 310 Ceramide (d18:1/23:0) 993 683 702 501 5261 2589 1177 1755 1544 561 3246 1198 1122 1139 479 841 585 1146 40683 887 569 882 789 913 637 856 1749 944 426 5967 Ceramide (d40:1) 3428 1846 1969 1745 21467 11225 3951 5819 6043 2130 11412 5214 3218 4843 1434 3504 2103 4367 128100 2437 1342 1914 2199 2453 1171 3914 4518 3996 1509 12769 Ceramide (d42:1) 2559 1266 1832 1045 12122 6937 3698 5841 4330 1843 7844 3445 2620 3535 1023 2198 1637 2910 154800 3042 1340 1739 1718 2022 1121 2330 3922 3008 1075 11152 Ceramide (d42:2) 1794 711 1362 503 12459 4775 2912 3511 2655 1091 8939 2611 1139 2505 881 1956 1424 1863 256692 997 568 1316 1522 912 658 1516 1086 1440 601 4409 Cholesterol 24678 17349 13525 21613 32728 33395 23412 22706 31741 23175 32179 29687 19380 30276 9507 21378 24380 28452 20556 15688 15745 26499 25097 21409 15714 26373 21914 29480 16776 27127 DG (34:1) 1556 695 635 1309 7438 9278 1554 1252 4390 1352 3464 2862 1912 2712 812 1005 1200 1214 90231 946 1009 1197 1774 1336 2237 1525 2102 1943 930 8063 DG (34:2) 2271 105 834 1271 10857 11497 2439 1890 4075 1347 6955 3414 2185 2347 826 1403 1972 969 94669 378 752 193 1358 993 1486 1437 1787 1835 140 6122 DG (36:2) A 949 452 495 1051 4201 5415 1008 865 1776 866 2117 2021 1441 1361 1807 503 920 622 152867 726 638 798 1113 729 1363 1011 1317 1410 423 6464 DG (36:2) B 404 99 65 510 2246 155 123 899 107 604 274 389 324 579 60 231 173 66549 210 226 106 283 358 373 464 75 2367 DG (36:2) C 1353 452 594 1116 4711 7661 1163 988 2675 973 2721 2295 1830 1685 2386 563 1151 795 219416 726 638 1008 1339 835 1646 1369 1690 1874 498 8831 DG (36:3) A 594 342 222 380 3726 3275 443 664 1401 421 1784 1040 774 866 289 609 1192 490 183508 521 332 324 538 246 576 421 759 704 389 3695 DG (36:3) B 283 162 125 170 1536 1314 354 379 806 246 867 518 544 329 201 305 670 252 105436 309 153 156 400 210 320 389 445 434 188 1870 DG (36:3) C 877 504 347 550 5262 4589 797 1043 2207 667 2651 1558 1318 1195 490 914 1862 742 288944 830 485 480 938 456 896 810 1204 1138 577 5565 DG (38:5) A 514 3823 7857 5020 1148 6144 3366 513 4900 462 10682 88 354 DG (38:5) B 380 124 159 199 2246 2198 114 273 728 374 73 150 137 192 184 241 106 317 11996 182 123 111 165 109 235 473 85 216 82 79 DG (38:5) C 894 124 159 4022 10103 7218 114 1421 6872 3740 73 150 650 5092 646 241 106 317 22678 270 123 111 165 109 235 473 85 216 82 433 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 2411 3248 6195 1508 6794 4835 25286 3262 2448 852 6099 2160 3776 1849 3070 2452 1397 2809 54197 1699 673 1641 17065 7302 794 1978 2488 2424 735 510 GlcCer (d40:1) 1775 2278 1223 1331 28737 27906 1605 1109 8114 3277 4703 6522 624 3755 529 1345 4825 4106 57837 703 2880 5654 2283 2949 897 8515 3608 5930 1005 6140 GlcCer (d42:1) 6155 4777 3031 4876 70996 64879 6850 7583 19780 7916 14748 21139 5672 9098 710 3431 13092 10666 130943 2394 6874 12984 8709 11238 3347 28240 8777 12468 2727 11960 GlcCer (d42:2) 8421 4570 2654 6808 56851 61704 4318 2381 39988 4993 14640 13860 4019 18400 511 1312 8046 8726 72723 676 3185 15349 7187 4085 6202 9238 5733 18230 5675 8862 Lactosylceramide (d18:1/24:1(15Z)) 856 584 896 836 8081 6520 3331 562 1361 401 1194 1343 367 496 539 565 1103 610 17703 233 335 736 2751 1393 596 1678 835 1469 432 358 LPC (14:0) 639 1396 1124 298 4672 796 333 997 382 156 1538 170 2231 1871 115 5036 696 1038 20825 239 329 477 161 61 149 1398 130 565 182 3057 LPC (16:0) 7974 2746 4872 557 60151 35354 13470 11366 5053 4245 101934 6812 8143 5721 875 16118 2797 10864 6981332 22659 775 1084 1186 881 3553 796 3349 2738 801 2249 LPC (18:0) 2257 1486 2280 714 17129 11121 6764 5988 2602 2093 20964 2597 3934 2170 882 5604 1470 6297 4451688 8407 912 1408 1419 1217 2240 1174 2628 2913 1065 1658 LPC (18:1) 2255 830 1161 117 18126 7226 4635 3452 1249 1172 35940 3299 6840 1632 205 52055 1000 1633 2309346 26147 318 413 430 779 1174 235 766 751 335 649 LPC (18:2) 6868 540 897 280 32529 7613 3028 4471 1416 1211 70287 2106 9328 1205 311 39538 2379 1089 1703348 43246 117 319 216 350 553 198 740 464 274 491 LPC (20:4) 4343 459 527 266 15330 5724 1128 1927 573 600 17387 1754 3648 894 64 37435 1368 616 946554 15371 137 275 57 335 334 253 323 218 139 589 LPC (o-16:0) 286 150 173 51 22237 463 816 114 99 130 1494 81 227 184 57 199 228 331 71763 401 84 180 120 822 79 92 81 92 322 429 PC (30:0) 7358 2805 1627 3179 70597 41677 6892 14503 25544 3322 64929 9724 26647 10127 2077 9519 2702 22979 101944 7209 1259 6704 6458 4585 2985 6210 4556 6466 3089 4767 PC (32:0) 21432 8535 6442 11275 107666 78194 36300 25092 49545 11194 97636 21300 28380 27526 5263 19057 15790 31530 633218 16261 5570 13999 21580 13420 7685 16030 15727 30085 7806 17446 PC (32:1) 13761 2713 3770 7175 79261 59214 9628 24576 31383 4110 72659 11072 29274 11481 2770 18475 4168 25330 303267 11188 1218 5142 5756 3063 1848 4539 4984 6956 1973 4815 PC (32:2) 3317 866 898 2686 9793 7859 2017 8143 6493 966 33217 2102 13650 1709 1051 5770 1023 6835 367280 5282 202 1405 1086 538 639 971 1239 1400 513 771 PC (32:3) 878 356 91 361 7604 6032 432 1614 3253 247 8694 1237 3310 1275 65 885 211 3030 6709 1195 239 1016 1013 804 415 637 742 613 575 380 PC (33:1) 5348 2080 1419 2568 22125 26131 4348 6794 12804 3558 15596 4839 11179 5484 1170 7041 1741 6989 110616 3979 1225 3872 3693 1999 1274 3044 2919 3618 1338 2833 PC (33:2) 4486 1099 1103 1831 10170 11037 2603 5934 6682 1676 24579 2227 11766 2351 1170 5238 1785 5009 138318 4677 508 1840 1778 763 654 1324 1871 1627 625 855 PC (34:0) 4125 1810 1303 1835 22300 11290 8255 5326 10915 1247 16246 3443 6663 5038 981 3452 2643 6313 246582 2499 96 2447 4203 2776 1354 2698 3631 6281 1137 2247 PC (34:1) 389691 123479 91490 163253 1442972 1526317 278996 457238 886885 182218 1299018 376871 636927 433496 64467 384287 191231 479942 8499378 258486 54118 197240 210547 119134 79324 189951 211018 370013 73413 199023 PC (34:2) 972873 136329 153449 362657 2571591 2141761 555142 1495030 1457845 243309 5675284 505387 2022472 607914 164872 943363 509618 1139951 13321139 968698 50733 261583 220804 81959 95417 191488 362270 374163 60459 170963 PC (34:3) 9400 1469 2084 4418 22706 16654 6125 18288 14341 2173 63713 5041 20771 4087 1821 12489 3084 10866 867363 11416 383 1579 1858 575 655 2012 2463 2624 396 1251 PC (35:1) 3277 220 42 190 12894 14166 2430 3544 8284 1922 8882 2300 7764 3925 55 4071 206 4307 206699 2145 20 589 1817 5 70 538 1740 1711 6 729 PC (35:2) 7567 1957 1483 2744 22110 20574 4594 9079 13195 3304 37178 3976 18587 5600 1622 9656 3281 7218 383835 8253 1124 3052 3001 1332 1382 2202 3873 3436 1318 1946 PC (35:3) 2926 724 735 1283 6968 5310 2319 4440 5269 1104 12558 1350 4245 2031 548 2897 954 2148 51685 2336 434 976 926 302 520 825 902 1155 432 721 PC (36:1) 47607 15005 9556 13777 201414 197131 36202 61631 116335 20300 128831 36683 105241 37572 7455 38389 17247 59237 2690522 27864 5988 24238 29258 15077 9554 25432 27875 50461 9175 19733 PC (36:2) 400678 54472 42660 84134 1116725 900035 196269 593673 661142 94169 1812687 147601 845254 197094 61923 387838 155488 465230 10300188 359230 20449 108415 107397 35089 37593 90998 192372 204602 25241 58014 PC (36:3) A 27150 3390 678 5835 78922 68462 11636 26246 21580 5799 87054 14577 56540 13825 2260 51492 15464 33989 1419545 21444 1705 5800 4623 2993 2029 3540 9059 6303 2071 5467 PC (36:3) B 158405 36935 23454 53972 470306 335994 83699 266934 388329 56269 613210 74936 429583 88286 30276 197520 54860 234156 4730262 155395 8593 35646 36288 13265 20433 40168 69918 71154 17778 42729 PC (36:4) A 72213 6107 9849 11610 125447 54763 25717 119485 60288 10986 619794 18759 112726 27846 12526 42479 18289 56804 3492664 54438 2883 12522 5142 2251 3543 8096 12780 12994 2986 3085 PC (36:4) B 280854 38574 25909 58480 690591 594042 129930 286629 234401 63306 826974 146036 536999 136302 25896 481222 159163 345927 11258289 238066 14737 36536 42981 15564 28652 43541 92020 64275 16222 48653 PC (36:4) C 40843 11631 9935 16970 156397 175592 31028 49074 97891 19449 148322 38359 70711 46203 7752 41227 18737 49709 180597 22430 6001 21240 20576 11296 7445 16181 19544 36949 6685 19361 PC (36:5) A 2803 206 336 528 3370 2817 1576 6800 1543 472 16829 1516 3123 793 318 1324 699 2262 206578 3097 90 225 223 86 134 439 243 295 141 196 PC (36:5) B 8513 1378 1521 4676 9968 11799 3784 11955 4725 1773 9652 4208 38124 1933 1082 15174 2451 15729 1767965 6437 282 845 2776 450 1176 2112 1520 836 782 1047 PC (37:2) 1812 458 669 89 1305 3980 201 2535 3013 82 5162 928 3078 259 597 1678 104 2028 75226 289 388 586 112 591 378 223 936 765 104 225 PC (37:4) 5767 1204 694 1264 13637 12879 3235 5579 5669 2092 13021 2815 12572 3105 809 12709 3136 5916 360705 4687 759 1312 1542 679 900 1384 2568 1932 727 1391 PC (38:2) 4143 2063 1348 1612 11803 9751 3594 6969 7343 1891 11513 2583 9672 2897 1501 3957 2258 6376 320469 3662 949 2495 2696 1700 1347 2145 2636 3843 1660 1717 PC (38:3) 19956 5780 3100 5073 61389 41509 9630 50809 68588 7606 69878 8026 86561 10463 3470 32832 8751 47943 1643883 23465 2107 6690 6314 3154 4118 4966 15126 12119 4320 7835 PC (38:4) A 155702 21194 10561 16950 355822 303787 69596 203739 153158 33457 416255 53602 344287 64823 12215 319274 90433 195484 5993723 129230 8103 22037 28866 9359 16563 28723 69454 62022 9560 25783 PC (38:4) B 8377 2824 2043 2462 34588 33576 6973 10560 19765 3955 18505 6750 17846 6475 1343 4548 3471 9965 273126 3870 1242 4452 5307 3115 1849 4396 5195 9993 1855 3841 PC (38:5) A 41440 1129 6023 10674 121168 87055 20625 48312 47412 11300 106989 18477 73928 22252 6624 72546 19901 48886 1339407 33206 3650 7082 8492 3942 5083 9681 13702 16226 3563 10026 PC (38:5) B 13326 3488 2160 4369 874 5410 9804 174 26656 5209 181 7304 287 8550 2416 551 7994 7872 1173301 14741 1139 692 4121 1052 2317 3865 9272 6093 1302 2598 PC (38:6) A 52394 15628 8233 18764 192999 353109 48759 93941 107740 22072 180471 48961 335783 51846 10174 142528 45963 222240 4964501 99508 4182 26986 44349 7417 10545 23064 35349 25741 5255 11524 PC (40:4) 1610 777 396 208 7517 3679 1208 3221 4445 760 8253 861 5032 1302 550 3912 1266 3979 381623 2834 259 762 481 474 67 262 1248 1320 323 194 PC (40:5) A 5045 1105 691 1524 16336 10172 2955 10499 10346 1920 15213 2418 17889 3291 414 12841 3658 14041 418822 7690 432 1035 1598 618 995 1506 2765 3226 120 1295 PC (40:5) B 1456 537 38 220 7395 6029 1867 4669 4413 972 10249 1417 5147 892 193 2035 1005 4682 384852 3358 135 480 784 720 528 624 1607 1167 589 534 PC (40:6) A 1348 447 443 381 222 590 2579 2946 500 4205 250 3236 279 521 3223 588 2163 25997 1647 233 249 405 307 381 161 664 862 194 157 PC (40:6) B 4299 1296 461 1011 17619 30851 2934 10792 2529 1661 5875 3349 35770 3083 586 15215 3522 21640 1190294 8323 430 2640 3536 813 918 1723 3255 2514 516 1402 PC (40:7) 2819 1005 614 824 15260 20045 2760 6639 11626 1364 11327 2600 11961 2976 532 8342 1723 7964 345492 3992 425 1513 2155 613 656 1610 1812 2137 471 902 PC (40:8) 1383 362 342 435 3785 2363 1022 1825 1381 436 3548 907 3088 715 297 2007 484 1746 203529 1253 208 428 422 244 173 454 451 379 170 315 PC (o-32:0) 1919 1211 1740 947 6050 3042 7613 2214 3495 827 5380 1374 2953 1597 856 2105 1463 2853 188701 1308 163 1140 4763 1861 570 916 1442 2197 575 919 PC (p-32:0) or PC (o-32:1) 1890 1559 1404 1293 11620 1599 2978 3603 4430 1594 8155 3129 4325 2731 1316 2769 2228 4334 158670 1454 1309 1830 2155 1530 1388 1518 2625 2925 1510 1382 PC (p-34:0) or PC (o-34:1) 5045 1839 2176 1884 13799 8543 930 2040 9078 2741 12630 3124 7543 3995 1523 4643 2838 2253 394011 3432 1254 2727 2189 2289 480 2317 3303 4315 1287 2135 PC (p-34:1) or PC (o-34:2) A 7028 890 1075 1927 7353 4917 4150 4643 6236 1337 15413 2205 9144 3092 1378 3181 2898 4807 256803 2864 857 2694 2482 1195 786 1848 2037 2848 234 1390 PC (p-34:2) or PC (o-34:3) 13492 3260 2920 5535 29472 1044 14066 23077 13856 1529 70846 8999 31895 12517 3680 14575 9090 20139 582285 11476 966 4368 4069 185 260 452 8588 6801 367 1440 PC (p-36:1) or PC (o-36:2) 2938 1205 1115 1234 6621 6188 4614 2435 5247 1188 6669 1591 4418 2630 643 1584 1802 2836 131747 1532 739 2336 2949 1394 797 1411 1982 2903 806 1789 PC (p-36:2) or PC (o-36:3) 3903 88 128 346 4651 1909 2351 2700 4173 83 8865 517 6410 1067 245 1834 487 3049 112494 1267 50 270 411 312 101 99 696 523 55 68 PC (p-36:3) or PC (o-36:4) 32039 435827 417618 422343 66672 36555 427646 456292 26556 430710 60489 423460 39968 434540 408529 28864 437229 26558 2217907 427801 445640 456090 431154 454471 449396 492155 431041 426243 445188 430723 PC (p-36:4) or PC (o-36:5) 27173 5812 2895 8506 101027 63487 16600 25167 28768 7634 79953 30412 44070 19605 4137 42766 16501 37357 1345404 22791 2947 5419 5809 1068 3112 7182 12993 10447 1734 5374 PC (p-38:3) or PC (o-38:4) 10637 805 68 807 27422 19106 5421 8134 10704 2763 29273 5879 14694 5771 148 10940 5928 10084 847299 6925 544 3222 2234 450 221 551 5054 3712 182 1288 PC (p-38:4) or PC (o-38:5) A 23025 1559 1240 2889 47983 30506 6543 12456 17700 2958 45890 6005 24387 6057 1947 21458 6381 17580 1581523 12027 1001 3084 2946 1244 1621 3429 5672 4826 667 2325 PC (p-38:4) or PC (o-38:5) B 4527 929 795 1538 12438 8515 3574 4337 4756 1071 7260 4840 5715 3038 659 522 2395 5335 390801 3175 721 1492 1118 774 903 1524 2652 1961 701 1046 PC (p-38:5) or PC (o-38:6) 4555 620 628 1217 14402 6827 2389 4346 3651 904 11063 4034 7403 2263 648 7887 2407 5483 230185 3214 685 531 1152 504 525 1249 2289 514 566 757 PC (p-40:1) or PC (o-40:2) 202 973 655 682 2915 2475 945 495 1439 428 563 1292 1126 1456 1036 145 1157 1300 1109 891 984 1164 396 1106 1456 1835 1350 783 1090 1878 PC (p-40:3) or PC (o-40:4) 2313 1412 1233 1726 13159 11060 1932 1057 6382 1810 6955 5012 2621 5351 601 1811 3003 3887 161954 752 930 3285 1880 2038 1322 2658 2333 2457 1412 1873 PC (p-40:4) or PC (o-40:5) 2550 249 198 430 5061 3414 1609 2291 1981 273 4602 966 2329 218 147 2548 1644 1411 211553 1609 114 687 771 166 387 117 1114 775 142 340 PC (p-40:6) or PC (o-40:7) A 1539 193 155 295 4465 5044 744 1177 1928 317 3014 880 3064 706 172 1791 871 2271 79407 1110 85 585 568 206 206 536 630 395 92 151 PC (p-42:3) or PC (o-42:4) 1927 915 730 1368 6901 6135 1837 1278 3872 1178 2889 3233 2051 3735 512 822 2175 2705 71318 486 872 2555 1581 2663 821 2152 1930 2689 893 1788 PC (p-42:4) or PC (o-42:5) 2849 447 508 347 5242 3427 1448 2837 1372 444 5848 1169 1988 1301 191 1984 1342 1171 269677 932 210 465 588 415 244 615 723 743 153 327 PC (p-44:4) or PC (o-44:5) 2269 377 546 436 3598 2068 1104 1604 1231 466 2547 540 2196 1067 84 1874 1271 1437 236212 897 182 641 820 177 266 395 657 482 270 316 PE (34:2) 15566 4408 7308 11062 77399 169522 12478 17989 43433 10756 40461 15272 6955 20894 4066 14006 12369 11448 158286 6038 3377 15045 9599 8786 4811 13890 8443 18259 5379 15121 PE (36:1) 7467 3141 2605 4719 42218 66554 8009 5270 20297 4726 13921 8120 3275 10600 1611 3306 4989 7696 99498 2112 2766 8416 7898 5857 3091 9799 5723 13928 3306 7715 PE (38:4) 56929 28109 19902 48168 181618 211436 28054 40343 88771 40849 63016 61189 26331 58891 10849 34932 36880 45910 473217 21291 29979 35935 51103 42156 32806 76092 47960 54725 35043 63290 PE (38:6) 7225 3274 2387 5027 56757 145235 6473 8313 26883 7986 18377 12246 505 16342 857 6522 6684 11449 95448 3693 2103 9614 8404 5823 2807 14632 5986 10780 3064 10087 PE (38:7) 3951 900 36 1434 36442 48895 4441 4529 12255 3016 10191 4637 32 6265 36 2116 994 3524 35958 130 38 754 54 431 218 3890 54 28 246 2800 PE (40:7) 363 86 420 887 16918 29458 826 264 6323 1761 6110 1001 41 2029 61 179 940 70 4272 78 484 1950 1561 308 312 2902 496 2642 253 1675 PE (p-36:2) or PE (o-36:3) 3337 2088 1466 4191 17427 24242 3890 2171 14469 2740 8796 4861 3097 8261 910 1505 3992 4485 60581 608 2069 7533 4898 2362 2039 6548 3929 9235 2144 3337 PE (p-36:4) or PE (o-36:5) 110976 60446 40084 79503 520410 730158 90653 77759 265092 99963 197846 153165 44076 153130 23533 67933 115967 152871 532319 24907 57669 146066 116901 96183 55172 204309 92395 178756 62458 121924 PE (p-38:4) or PE (o-38:5) 38730 23584 12896 29826 197474 265735 40880 23409 82764 26530 59983 46274 26392 90708 7132 16746 41586 69044 431583 7221 25108 57469 39760 26304 26141 80341 44498 69412 29959 45208 PE (p-38:5) or PE (o-38:6) 8629 3652 3098 4632 35655 40726 6542 5868 15234 5010 16961 8441 4949 10169 2004 6346 6939 11308 19603 2142 3746 8388 6811 4970 2948 9753 6623 12312 2937 6185 SM (d32:0) 942 452 482 508 3054 9744 638 1076 1889 658 6083 736 876 798 174 1002 455 806 34933 434 218 768 618 571 277 767 437 311 318 524 SM (d32:1) 18308 7805 6394 8435 107188 156451 21008 30773 36400 15822 139017 16811 20175 18636 4211 27014 9122 21704 1012418 16840 3640 13498 12898 11054 5985 14163 7439 9210 6342 14051 SM (d32:2) 727 804 1045 609 3024 3720 923 2400 1427 766 6584 652 1645 736 530 1306 591 875 59118 1494 173 554 594 288 273 520 384 417 369 578 SM (d33:1) 15773 5931 4521 6210 120642 183146 16778 22754 30292 14909 101793 14628 14052 19464 3132 19541 7674 14639 709191 10979 2154 6762 8806 7457 3675 7921 5218 6998 3812 9043 SM (d34:0) 15663 3429 9345 8664 112484 271279 15080 21223 35866 10006 73593 16429 8782 17458 2947 12746 8044 13486 197518 4926 3397 5870 7970 6677 2609 10021 6503 7262 2398 6841 SM (d34:1) 612608 218206 195698 329983 1980998 3370279 647883 778486 1136887 401017 1814595 574346 382511 704006 137114 575682 409239 574853 8439788 319828 124576 358254 376451 301587 151559 483962 258412 488197 161638 460008 SM (d34:2) 51768 9629 11672 14226 139212 266410 58665 101878 56877 14937 321704 38156 43027 40113 7610 54476 22573 33203 3282669 47671 3840 12314 12503 8309 5578 11480 9412 14747 5600 14398 SM (d36:0) 2765 963 1248 1338 21418 44455 1756 3251 10032 1951 8624 4690 1476 3214 525 2151 2151 2058 45126 1188 628 1600 1419 1249 702 1832 1534 2083 702 1505 SM (d36:1) 29660 10815 7729 13656 337922 367443 26027 36494 94087 26480 113684 46276 23859 43267 6153 37367 19177 32244 1360742 18658 6780 17585 18938 14170 7605 20368 16622 25826 8045 25237 SM (d36:2) 40415 7024 5656 10192 284524 291487 33192 51815 68217 12125 185597 41301 33608 44381 4972 42265 16590 29622 1328162 28158 2119 10340 10846 5662 4124 8540 10703 13150 3345 10282 SM (d37:1) 691 2613 204 1421 56595 15639 1304 2370 4190 6350 3330 2211 3744 1158 829 4290 570 1942 13282 2531 990 579 700 995 1427 335 973 312 1103 3960 SM (d38:0) 3766 1451 1633 1881 16525 23012 1697 2504 7106 975 6762 2677 1447 3400 717 1605 2281 2794 50659 226 1512 1068 836 1871 1074 3461 2026 3520 1271 1948 SM (d38:1) 59594 27675 17458 33530 564225 703655 44123 52470 190386 69064 143537 115352 38536 72418 10184 47003 40001 59852 1109998 20973 31648 55586 58547 51666 23524 87715 48166 91474 26626 98802 SM (d38:2) 16344 4827 3948 7135 106835 127629 13107 18516 32444 10603 41910 22588 13815 19629 3805 16332 8578 13796 290143 11190 3595 8030 8647 5616 3576 6945 6831 11216 3814 11439 SM (d39:1) 10487 6007 3165 5503 129848 108233 7737 7834 30382 14279 24946 15621 8826 12051 1732 7721 6716 11274 253341 4011 4965 10236 10466 8651 4685 13158 7923 12737 5506 14557 SM (d39:2) 881 463 122 327 6771 5895 514 1098 2293 576 2563 906 1309 947 184 1219 128 1116 37220 517 101 59 424 274 209 53 489 115 139 380 SM (d40:0) 7290 1389 1956 3420 15618 62612 2205 3592 7506 2204 9191 4315 2689 7410 1341 2262 2659 4071 33007 866 1369 5563 2160 1982 1006 5972 1723 6091 1914 5728 SM (d40:1) 157071 75323 41178 86052 887020 1261764 113253 111968 465273 159428 286446 225434 78711 178771 23007 82061 117127 145260 1766706 29021 83329 171988 163303 142190 61889 288798 113695 252481 68341 235363 SM (d40:2) A 11891 4060 3849 4974 108241 88405 10649 203 2052 10051 36166 12877 11495 11322 3060 14725 5738 12061 490675 5747 864 4608 5737 4417 2540 6051 4635 6022 2430 6848 SM (d40:2) B 17029 6010 5653 10514 98689 218447 20140 19031 42172 20129 73341 25208 24832 24359 3519 10029 8979 15301 482022 11209 4607 10277 9245 6057 4878 10881 11057 16576 3729 15831 SM (d41:1) 43299 24186 10309 21724 264114 306382 24659 23315 129009 42491 70039 59033 19433 50952 5276 16680 33055 41770 563153 7061 25776 58547 49752 38413 20244 86128 30400 67306 22352 63798 SM (d41:2) 7204 2579 2010 2821 70622 54829 5602 7956 16805 6765 21054 8507 7075 7809 1519 7443 3639 7146 376139 3533 1173 3731 4402 3166 1756 4844 3249 4569 1766 4393 SM (d42:0) 5897 2200 2727 2344 22091 74383 1069 2122 9210 2372 4302 5998 1074 9392 784 861 2813 2142 15433 249 1359 4161 2977 2886 1790 11401 2545 4841 1980 3668 SM (d42:1) 133668 56777 41000 77828 575257 1030856 108172 117715 344784 116818 234037 174984 59145 165462 29389 65329 95205 111973 1412597 25742 74522 135270 125490 109625 45768 244866 90981 173668 50664 160173 SM (d42:2) A 138468 35668 37798 64837 695139 957665 103591 139248 366619 83892 341635 160854 57403 145561 29968 103592 75486 105963 3717804 32142 22377 76308 88034 65625 25468 137620 55655 133600 27074 87997 SM (d42:2) B 43340 12706 14947 22282 246185 275253 37428 52934 131190 28688 114390 59214 26612 50449 10277 35592 20383 35041 1147294 14018 7455 23145 27702 18319 7885 38084 17912 32889 7474 25911 SM (d42:3) 46714 9996 11497 22074 214102 220741 37457 60564 92603 19988 118862 44119 32222 45853 11587 41077 24785 40999 2112165 21721 4040 16067 17925 12442 7181 22092 14811 28086 7163 19593 SM (d43:1) 3853 2211 393 2120 16759 30573 3633 2481 9117 5358 6309 4551 417 5457 825 2405 2777 3192 41320 826 1732 2631 3759 3196 1599 5350 2610 2199 1561 3987 SM (d43:2) A 2810 969 1088 1254 14286 21013 2596 2871 6752 3433 6282 2285 2040 3140 837 3390 1358 1822 138919 861 287 1473 1792 1756 708 1585 786 1267 553 1379 SM (d43:2) B 805 360 288 594 13890 20735 471 365 5661 3326 6078 549 1973 3179 449 3196 515 617 130076 311 459 574 1640 1525 330 1100 334 1049 164 390 SM (d44:2) 1175 678 526 884 5925 8426 1123 1450 3289 1203 2545 1485 582 1500 254 846 882 1003 22988 244 473 1007 1136 1050 416 1638 868 1957 593 1299 TG (14:0/14:0/14:0) 7199 8381 7191 6577 7492 8990 7536 8008 7571 6857 5965 8699 8060 8368 7756 6317 7845 6033 7679 8009 8290 7563 7770 9426 8438 8080 8331 7135 11112 28167 TG (42:1) 424 461 532 23393 2724 1158 3061 1089 1383 533 1161 1354 1221 1355 25586 242 1115 1229 1620 1621 1020 988 774 374 1771 885 475 1354 4020 18655 TG (44:1) 844 419 750 1823 1130 1312 715 4620 2366 1188 1826 1828 2620 1837 1822 595 761 1455 4394 2439 1039 1088 1270 928 1416 1223 1289 1353 4816 27462 TG (46:0) 3814 3885 2743 3012 5831 6397 3485 11419 7635 3840 5296 4150 6135 5868 3893 2938 4363 4026 12238 5466 3082 4027 2973 3227 4028 3214 4730 2819 5968 47775 TG (46:1) 2288 2128 1967 4090 3252 4105 3419 14654 7899 4253 5317 5196 8611 4980 4782 1847 4086 4080 37948 7645 4096 3412 3563 2761 5169 2904 3374 3064 8133 55263 TG (46:2) 716 981 1062 1404 710 889 1738 5505 2778 1681 1991 1149 3568 2053 2331 977 1582 1762 11742 2661 1354 1367 1238 905 1459 1118 1213 1264 2538 16117 TG (48:0) 8615 8541 7416 7323 13457 14881 8034 20500 17745 10205 10720 11483 12389 13309 8890 6301 8949 10027 43718 10145 7078 7933 6498 8458 8796 7943 11073 6279 13204 109429 TG (48:1) 4871 3565 3525 6375 10248 9876 6866 32114 22146 9609 14125 11248 19873 10034 8381 3627 8445 10463 127417 17403 6161 6131 6784 4141 8559 5290 8787 6837 12915 111963 TG (48:2) 1793 1788 2090 3724 3210 3252 3622 13405 8850 3710 6193 4110 8013 4555 4934 1969 3840 5180 175360 7411 3015 3108 3214 1788 3757 2470 3609 3182 4876 41199 TG (49:0) 2718 2846 2466 3061 3670 4016 2587 7589 4550 2983 2451 3224 3576 3993 3208 2407 3338 2258 9650 3733 2396 2948 2208 2862 2450 2611 2579 2058 3548 16278 TG (49:1) 1669 1598 1805 3621 2993 3356 3065 11321 6445 3650 3436 4339 5955 4025 4207 1717 3261 1810 44889 7473 3136 2597 2867 1886 3248 2540 3157 2964 3105 25037 TG (49:2) 473 528 777 1968 1505 1065 1825 7092 3492 2301 2457 2881 3574 2652 1424 1209 1208 919 33882 4136 1648 1967 1606 948 1819 841 1668 1526 1356 9447 TG (50:0) 5408 7226 5186 6096 8544 11006 6054 11571 13966 9822 6930 6554 7601 11034 7292 4572 6652 5698 67446 7107 5352 6172 5336 7182 6877 6620 8482 5059 11634 110004 TG (50:1) 8246 5262 5754 8553 32968 15812 13278 44462 41111 15187 35786 17964 25977 12531 9728 5615 15300 20221 892692 24004 7941 6728 10921 7296 13407 7660 17740 10345 19739 258448 TG (50:2) 6462 4373 4026 5608 22573 10413 12069 43911 39253 13158 31489 10829 21346 10218 8153 5235 26094 20063 774373 25181 5149 6039 9609 4249 9372 5700 15039 8667 10686 129381 TG (50:3) 1536 1328 1249 1393 4796 2061 3230 12141 11660 3241 7863 2420 4345 2597 2089 1746 3573 6788 940448 4994 1577 1861 2461 498 2165 1508 3977 2130 2725 25605 TG (51:1) 901 694 891 1171 1448 1388 1418 4620 2590 1255 1633 1954 2366 1652 1619 703 1569 788 51317 3040 1161 922 1273 944 1423 1007 1467 1324 1636 17430 TG (51:2) 688 800 1103 1826 2431 1516 2563 7361 4998 2321 3125 1683 3645 1561 2153 733 2045 887 218168 4978 1090 1555 2149 836 2105 1055 2775 999 2017 22084 TG (52:0) 9315 10425 8846 9832 12460 20419 8321 16634 21295 16150 9319 10442 10954 24500 12277 8281 9592 7948 38911 12868 8983 10658 8869 12004 10334 10048 12362 7745 15123 102472 TG (52:1) 4773 3308 4100 5376 13321 7583 7646 15803 14731 7319 12087 8913 10044 6276 6444 1483 12045 6586 738384 17741 5099 4202 7698 5851 8067 5616 9443 6801 16206 246461 TG (52:2) 10188 11355 6621 10042 79690 15927 19163 104567 107800 28113 118508 21309 38930 14683 11069 11261 53315 30370 5580546 47608 8378 6980 16921 9113 24761 10439 42784 19177 17977 474508 TG (52:3) 15359 9795 5989 5928 77273 16366 27996 107415 113151 29497 133673 14438 28248 13427 8840 12830 102370 44956 6324654 50674 6551 10466 18092 6538 16808 8721 39263 15530 15071 182496 TG (52:4) 4638 3569 2410 2278 18773 4367 9214 30992 30132 10927 32446 4502 7550 4055 5667 4415 112252 16415 4135116 32684 2558 3794 5499 2303 4936 3308 10163 5644 4740 72100 TG (52:5) 496 882 416 557 945 325 653 2332 2698 1193 1926 536 548 674 834 595 20432 1913 567495 3533 623 784 452 480 699 752 679 695 559 3235 TG (53:1) 571 620 745 1121 813 890 974 3639 1745 1076 1056 1350 1489 1199 1046 614 1106 790 16502 2010 944 833 855 861 1022 880 1022 917 1203 16258 TG (53:3) 566 524 528 554 1339 686 1222 2720 2401 960 1896 887 1197 828 754 546 1576 759 259302 1016 549 624 845 482 853 521 1368 783 905 7851 TG (54:1) 3187 2270 4151 4484 5932 5345 4344 11346 6974 4935 5624 5771 6064 4591 5598 2477 8509 2889 165350 11337 3539 3798 4452 3594 3982 3756 5138 4224 7811 126848 TG (54:2) 4086 3018 3054 4569 11726 5608 7810 14943 14362 6480 15044 7343 7213 5550 4475 2459 23546 4631 1761066 14685 3927 5577 6347 4335 5916 4577 8906 5426 8797 174634 TG (54:3) 11140 8808 6995 13220 36382 14739 18715 41490 52301 16305 61176 24488 25695 16759 9226 7710 87317 14196 2949777 34794 10226 11525 17311 8511 18563 11026 26699 15987 13170 408057 TG (54:4) 7333 5535 3897 5483 26837 8826 13198 35007 40075 12793 52795 8845 10041 6934 6940 5075 143186 11708 3725305 34976 4559 5793 8435 4344 9557 5536 17221 7844 7245 164731 TG (54:5) A 3344 2376 1538 2259 11191 3647 6025 16334 18642 6817 20706 3652 4044 3367 5356 2555 180229 6936 2330544 32986 2111 2707 3752 1607 3464 2308 7023 3857 3774 90663 TG (54:5) B 901 481 503 713 3587 1037 2367 5946 2977 1860 3826 382 1740 426 399 576 178 2604 231969 1145 561 794 687 732 760 315 1954 872 915 1779 TG (54:6) A 1314 1407 911 1629 3071 1400 2365 5952 3824 3593 4348 2152 1722 1961 4660 1137 161344 2960 923834 24305 1302 1576 1429 1234 1242 1346 2029 1952 2593 50365 TG (56:1) 1774 1050 1716 2589 2338 2595 2258 10772 3583 3001 2654 3070 4078 3010 3736 1750 4268 1212 31834 5705 2285 2328 1994 1406 1856 1742 2333 2042 1816 18049 TG (56:2) 938 1099 1090 1731 2089 1664 2226 5261 2425 1866 2443 2166 2342 1835 1798 1042 6776 1003 189378 4438 1371 1472 1552 1218 1469 1277 1900 1522 1279 21612 TG (56:3) 660 358 605 796 1889 1075 1708 1718 1466 1020 1924 1075 1045 386 806 497 4769 884 208837 2442 393 725 1020 870 789 753 1247 790 478 10889 TG (56:4) 563 365 342 440 1363 759 1001 1578 1530 503 1463 653 627 636 473 372 4310 681 20326 1507 448 422 756 522 494 506 660 480 578 5313 TG (56:7) 1828 1332 1791 443 4348 3219 3291 5636 3522 2335 3953 2021 2551 3156 2364 2110 2964 2725 665118 2629 3541 1197 2576 2308 2603 718 3719 2744 3306 2866 TG (58:1) 1417 1758 2554 3688 2808 3602 3397 15754 4502 3683 3440 4085 5161 3649 4308 1986 4973 1747 28221 5995 2608 2724 749 2549 2355 2251 2508 2482 1974 17215 TG (58:2) 482 1018 1558 2158 2090 2116 2078 7450 2774 2303 2545 2787 3209 2511 2606 973 6114 404 84515 4449 1849 1992 1789 1286 1559 1641 1995 1480 1106 16349 TG (60:2) 846 896 1053 1390 1237 1415 1930 6210 1752 1160 1605 1999 2080 1548 1710 792 2980 682 52775 2838 251 1168 1140 1056 964 933 1498 1243 136 11219 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Identifier m/z RT InChi key Adducts Comments Acylcarnitine C10:0 0.58_316.25 316.2478 0.591 LZOSYCMHQXPBFU-UHFFFAOYSA-N [M+H]+ Acylcarnitine C12:0 0.73_344.28 344.2801 0.74 FUJLYHJROOYKRA-QGZVFWFLSA-N [M+H]+ Acylcarnitine C16:0 1.58_400.34 400.342 1.8 XOMRRQXKHMYMOC-OAQYLSRUSA-N [M+H]+ palmitoylcarnitine Acylcarnitine C18:0 2.33_428.37 428.3727 2.544 FNPHNLNTJNMAEE-UHFFFAOYSA-N [M+H]+ stearoylcarnitine Acylcarnitine C18:1 1.73_426.36 426.3578 1.95 HITOYGLMAFIRNI-YSESTWPTSA-N [M+H]+ oleylcarnitine Acylcarnitine C18:2 1.33_424.34 424.3425 1.5 MJLXQSQYKZWZCB-DQFWFXSYSA-N [M+H]+ linoleylcarnitine CE (18:1) 10.85_673.59 _10.85_668.63 673.5894 _668.634 11.136 RJECHNNFRHZQKU-RMUVNZEASA-N [M+Na]+ _[M+NH4]+ CE (18:2) 10.37_671.57 _10.37_666.62 671.5738 _666.6184 10.586 NAACPBBQTFFYQB-LJAITQKLSA-N [M+Na]+ _[M+NH4]+ CE (20:4) 10.13_695.57 +10.13_690.62 695.5738 _690.6184 10.245 IMXSFYNMSOULQS-BEDFLICRSA-N [M+Na]+ _[M+NH4]+ CE (22:6) 9.88_719.57 _9.88_714.62 719.5738 _714.6184 9.988 VOEVEGPMRIYYKC-HNJOWPRISA-N [M+Na]+ _[M+NH4]+ Ceramide (d18:1/23:0) 7.94_636.63 _7.94_618.62 _7.94_658.61 636.6289 _618.6184 _658.6109 8.139 NAJHAHQNQCNWOP-PUYNVXOJSA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ Ceramide (d40:1) 7.62_622.61 _7.62_604.60 _7.62_644.59 622.6133604.6027644.5952 7.823 KEPQASGDXIEOIL-GLQCRSEXSA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ Ceramide (d42:1) 8.26_650.65 _8.26_632.63 _8.26_672.63 650.644 _6632.634 _672.6265 8.445 ZJVVOYPTFQEGPH-AUTSUKAISA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ Ceramide (d42:2) 7.59_648.63 _7.59_630.62 _7.59_670.61 648.6289 _630.6184 _670.6109 7.791 VJSBNBBOSZJDKB-KPEYJIHVSA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ Cholesterol 4.87_369.35 369.3516 4.957 HVYWMOMLDIMFJA-DPAQBDIFSA-N [M-H2O+H]+ DG (34:1) 6.85_617.51 _6.85_612.56 617.5116 _612.5562 7.068 YEJYLHKQOBOSCP-OZKTZCCCSA-N [M+Na]+ _[M+NH4]+ noMSMS DG (34:2) 6.36_615.50 _6.36_610.54 615.4965 _610.5411 SVXWJFFKLMLOHO-YAIZGCQRSA-N [M+Na]+ _[M+NH4]+ DG (36:2) A 6.93_643.53 643.5272 7.126 AFSHUZFNMVJNKX-LLWMBOQKSA-N [M+Na]+ noMSMS DG (36:2) B 6.93_638.57 638.5718 7.126 AFSHUZFNMVJNKX-LLWMBOQKSA-N [M+NH4]+ noMSMS DG (36:2) C 6.93_643.53 _6.93_638.57 643.5272 _638.5718 6.365 AFSHUZFNMVJNKX-LLWMBOQKSA-N [M+Na]+ _[M+NH4]+ noMSMS DG (36:3) A 6.40_641.51 641.5115 6.596 BLZVZPYMHLXLHG-JOBMVARSSA-N [M+Na]+ noMSMS DG (36:3) B 6.40_636.56 636.5562 6.596 BLZVZPYMHLXLHG-JOBMVARSSA-N [M+NH4]+ noMSMS DG (36:3) C 6.40_641.51 _6.40_636.56 641.5115 _636.5562 6.596 BLZVZPYMHLXLHG-JOBMVARSSA-N [M+NH4]+ noMSMS DG (38:5) A 6.25_665.51 665.5116 6.438 GRGDLDNREYVILP-CNWVQWJYSA-N [M+Na]+ noMSMS DG (38:5) B 6.25_660.56 660.5562 6.526 GRGDLDNREYVILP-CNWVQWJYSA-N [M+NH4]+ noMSMS DG (38:5) C 6.25_665.51 _6.25_660.56 665.5116 _660.5562 6.438 GRGDLDNREYVILP-CNWVQWJYSA-N [M+Na]+ _[M+NH4]+ noMSMS Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 4.80_862.624.80_884.61 862.625 _884.6069 4.874 HLIJNIKSBCIDGO-QKLMXXKVSA-N or HLIJNIKSBCIDGO-NLXPYQMASA-N [M+H]+ _[M+Na]+ GlcCer (d40:1) 6.98_784.67 _6.98_766.66 _6.98_806.65 784.6661 _766.6555 _806.648 7.226 QMYGQSYNQBLKGY-YAEABVQUSA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ GlcCer (d42:1) 7.63_812.70 _7.63_794.69 _7.63_834.68 812.69747 _94.6868 _834.6793 7.876 SNVYJLGKALMFOP-MOLROICHSA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ GlcCer (d42:2) 6.96_810.68 _6.96_792.676.96_832.66 810.6817 _792.6711 _832.6636 7.272 WBOZIXHPUPAOIA-RBELZSLISA-N [M+H]+ _[M+H-H2O]+ _[M+Na]+ Lactosylceramide (d18:1/24:1(15Z)) 6.69_972.736.69_994.72 972.7346 _994.7165 6.861 MKOKWBRPIBQYJJ-LWQSSKHKSA-N [M+H]+ _[M+Na]+ Or Ceramide Isomer LPC (14:0) 0.99_468.31 468.3089 1.031 VXUOFDJKYGDUJI-OAQYLSRUSA-N [M+H]+ LPC (16:0) 1.47_496.34 496.3395 1.6 ASWBNKHCZGQVJV-HSZRJFAPSA-N [M+H]+ LPC (18:0) 2.23_524.37 524.3708 2.344 IHNKQIMGVNPMTC-RUZDIDTESA-N [M+H]+ LPC (18:1) 1.62_522.36 _1.56_544.34 522.3551 _544.3387 1.562 YAMUFBLWGFFICM-PTGWMXDISA-N [M+H]+ _[M+Na]+ LPC (18:2) 1.23_520.34 520.3395 1.388 SPJFYYJXNPEZDW-FTJOPAKQSA-N [M+H]+ LPC (20:4) 1.20_544.34 544.3403 1.35 GOMVPVRDBLLHQC-VEJNOCSESA-N [M+H]+ LPC (o-16:0) 1.75_482.36 482.3606 1.802 VLBPIWYTPAXCFJ-DEOSSOPVSA-N [M+H]+ PC (30:0) 4.79_706.54 706.5378 4.907 RFVFQQWKPSOBED-PSXMRANNSA-N [M+H]+ PC (32:0) 5.40_734.57 734.5691 5.579 KILNVBDSWZSGLL-KXQOOQHDSA-N [M+H]+ PC (32:1) 4.86_732.55 732.5535 4.974 QIBZFHLFHCIUOT-NPBIGWJUSA-N [M+H]+ PC (32:2) 4.43_730.54 730.5378 4.517 GPWHCUUIQMGELX-VHQDNGOZSA-N [M+H]+ PC (32:3) 4.79_728.52 728.5222 4.907 UXEFXNOSLOCOLX-ZCHSEWAGSA-N [M+H]+ Possible M+Na of PC 30:0 PC (33:1) 5.16_746.57 746.57 5.339 OFRWLQSOUIZELQ-VEAYGOGPSA-N [M+H]+ PC (33:2) 4.70_744.55 744.5541 4.8 SBNDHGBVMZMSNL-UESLNCBNSA-N [M+H]+ PC (34:0) 6.05_762.60 762.6004 6.218 PZNPLUBHRSSFHT-RRHRGVEJSA-N [M+H]+ PC (34:1) 5.52_760.59 760.5904 5.653 WTJKGGKOPKCXLL-VYOBOKEXSA-N [M+H]+ PC (34:2) 5.04_758.58 _4.98_780.55 758.5751 _780.5535 5.173 JLPULHDHAOZNQI-ZTIMHPMXSA-N [M+H]+ _[M+Na]+ PC (34:3) 4.60_756.56 756.5514 4.65 VKVSSDKCKXJFIM-AFYHZPHLSA-N [M+H]+ 3 conformations co-eluteing PC (35:1) 5.80_774.61 774.6007 5.96 MFHIZGSSDZJFKD-IYEJTHTFSA-N [M+H]+ 2 conformations PC (35:2) 5.22_772.59 772.5854 5.454 MJWAVUYQCBFFHQ-WESJWMGVSA-N [M+H]+ (2 conformations) noMSMS PC (35:3) 4.86_770.57 770.5694 4.957 AYXGHIQPMDYMJC-AHMBLZLYSA-N [M+H]+ PC (36:1) 6.13_788.62 788.6161 6.322 ATHVAWFAEPLPPQ-VRDBWYNSSA-N [M+H]+ PC (36:2) 5.64_786.60 786.6004 5.803 SNKAWJBJQDLSFF-NVKMUCNASA-N [M+H]+ PC (36:3) A 5.07_784.59 784.5848 5.154 BXRLDROZWDUSGM-ZRYFCQOPSA-N [M+H]+ PC (36:3) B 5.16_784.59 784.5848 5.404 WZCLAXMADUBPSG-RIXBAXMTSA- [M+H]+ PC (36:4) A 4.64_782.57 782.5694 4.716 NKQPOVROGSWLTO-NVPMBMBWSA-N [M+H]+ PC (36:4) B 4.91_782.57 782.5721 5.023 IIZPXYDJLKNOIY-JXPKJXOSSA-N [M+H]+ PC (36:4) C 5.48_782.57 782.5691 5.645 IIZPXYDJLKNOIY-JXPKJXOSSA-N [M+H]+ PC (36:5) A 4.27_780.56 780.5538 4.379 SUZYROYNFNQALJ-MHEIZRSESA-N [M+H]+ PC (36:5) B 4.54_780.56 780.5538 4.699 SUZYROYNFNQALJ-MHEIZRSESA-N [M+H]+ PC (37:2) 5.92_800.62 800.6161 6.118 MCZUABDVGPPWPM-HJTCUGKVSA-N [M+H]+ PC (37:4) 5.22_796.59 796.5848 5.388 QRPUCJXFPYFTMB-FBFLODOBSA-N [M+H]+ PC (38:2) 6.20_814.63 814.6317 6.536 KXXLFCAPKGRXBT-FMJYHZMHSA-N [M+H]+ PC (38:3) 5.79_812.61 812.6137 6.046 KNNHXKQRTYEWCA-HYYWERRFSA-N [M+H]+ PC (38:4) A 5.53_810.60 810.6004 5.854 PSVRFUPOQYJOOZ-QNPWAGBNSA-N [M+H]+ PC (38:4) B 6.12_810.60 810.6004 6.322 DNYKSJQVBCVGOF-LCKGXUDJSA-N [M+H]+ PC (38:5) A 4.97_808.58 808.5848 5.096 SUACBSWYGWBPFC-GPUJSUHJSA-N [M+H]+ PC (38:5) B 5.14_808.59 808.5848 5.322 YLWBKBDNHWQEFU-YJXJLLHLSA-N [M+H]+ PC (38:6) A 4.76_806.57 806.5691 4.874 PLZBTDKJYHXIEW-DZUXOTHRSA-N [M+H]+ PC (40:4) 5.98_838.63 838.632 6.246 FHUAYOMRHXZKHT-JUGJLYODSA-N [M+H]+ PC (40:5) A 5.57_8.36.61 836.6164 5.804 IJTJDJOOHZVSAC-NDRUHXFFSA-N [M+H]+ PC (40:5) B 5.80_836.61 836.6164 6.054 SFESOYFQZQJCOY-FXYWPAEZSA-N [M+H]+ PC (40:6) A 5.04_834.60 834.6007 5.247 KZSXWBSDQDXESU-PPEVQBTRSA-N [M+H]+ PC (40:6) B 5.36_856.58 834.6007 5.604 TYRTWVKQVGNGSZ-RGBTVBCDSA-N [M+H]+ PC (40:7) 4.82_832.59 832.5848 5.016 BPUROMFCPFGBOT-ZEGPSQTJSA-N [M+H]+ PC (40:8) 4.41_830.57 830.5694 4.569 SIMZOWLEIOYZJX-VRCXRDLJSA-N [M+H]+ PC (o-32:0) 5.80_720.59 720.5902 5.96 SVWBXNAUENUONE-LDLOPFEMSA-N [M+H]+ oPC (32:0) PC (p-32:0) or PC (o-32:1) 5.69_718.57 718.5745 5.877 [M+H]+ pPC (32:0) or oPC (32:1) PC (p-34:0) or PC (o-34:1) 5.88_746.60 746.6058 6.01 [M+H]+ pPC (34:0) or oPC (34:1) PC (p-34:1) or PC (o-34:2) A 5.36_744.59 744.5908 5.546 [M+H]+ pPC (34:1) or oPC (34:2) PC (p-34:2) or PC (o-34:3) 5.27_742.58 742.5745 5.446 [M+H]+ oPC (34:3) or pPC (34:2) depends on double bond placement PC (p-36:1) or PC (o-36:2) 6.02_772.62 772.6215 6.246 [M+H]+ pPC (36:1) or oPC (36:2), 2 conformations PC (p-36:2) or PC (o-36:3) 5.48_770.61 770.6058 5.704 [M+H]+ pPC (36:2) or oPC (36:3), 2 conformations PC (p-36:3) or PC (o-36:4) 5.28_768.59 768.5902 5.438 [M+H]+ pPC (36:4) or oPC (36:3) PC (p-36:4) or PC (o-36:5) 5.19_766.58 766.5759 5.338 [M+H]+ pPC (36:4) or oPC (36:5) PC (p-38:3) or PC (o-38:4) 5.91_796.62 796.6215 6.146 [M+H]+ pPC (38:3) or oPC (38:4) PC (p-38:4) or PC (o-38:5) A 5.31_794.60 794.6058 5.488 [M+H]+ pPC (38:4) or oPC (38:5) PC (p-38:4) or PC (o-38:5) B 5.80_794.61 794.6054 6.096 [M+H]+ pPC (38:4) or oPC (38:5) PC (p-38:5) or PC (o-38:6) 5.12_792.59 792.5902 5.446 [M+H]+ pPC (38:5) or oPC (38:6) PC (p-40:1) or PC (o-40:2) 6.64_828.68 828.6842 6.916 [M+H]+ PC (p-40:3) or PC (o-40:4) 6.56_824.65 824.6528 6.876 [M+H]+ pPC (40:3) oPC (40:4) PC (p-40:4) or PC (o-40:5) 5.92_822.64 822.6371 6.196 [M+H]+ pPC (40:4) oPC (40:5) PC (p-40:6) or PC (o-40:7) A 5.18_818.60 818.6058 5.354 [M+H]+ pPC (40:6) or oPC (40:7) PC (p-42:3) or PC (o-42:4) 7.21_852.69 852.6859 7.486 [M+H]+ pPC (42:3) or oPC (42:4) PC (p-42:4) or PC (o-42:5) 6.56_850.67 850.669 6.836 [M+H]+ pPC (42:4) or oPC (42:5) PC (p-44:4) or PC (o-44:5) 7.17_878.70 878.6997 7.456 [M+H]+ pPC (44:4) or oPC (45:5) PE (34:2) 5.17_716.53 716.5252 5.338 HBZNVZIRJWODIB-NHCUFCNUSA-N [M+H]+ Has 184 frag PE (36:1) 6.32_746.57 746.57 6.606 JQKOHRZNEOQNJE-ZZEZOPTASA-N [M+H]+ PE (38:4) 5.70_768.56 _5.74_790.54 768.556 _790.5391 5.74 ANRKEHNWXKCXDB-BHFWLYLHSA-N [M+H]+ _[M+Na]+ PE (38:6) 4.91_764.52 764.5235 5.023 LFGBKOUQHCWBQI-BZGLIJSBSA-N [M+H]+ PE (38:7) 4.40_784.49 784.4941 4.403 [M+Na]+ PE (40:7) 4.98_790.54 790.5399 4.976 [M+H]+ PE (p-36:2) or PE (o-36:3) 6.13_728.56 728.5596 6.322 [M+H]+ pPE (36:2) or oPC (36:3) PE (p-36:4) or PE (o-36:5) 5.36_724.53 724.5284 5.53 [M+H]+ pPE (36:4) or oPC (36:5) PE (p-38:4) or PE (o-38:5) 6.01_752.56 752.559 6.176 [M+H]+ pPE (38:4) or oPC (38:5) PE (p-38:5) or PE (o-38:6) 5.41_750.54 750.5437 5.674 [M+H]+ pPE (38:5) or oPC (38:6) SM (d32:0) 4.35_677.56 677.5592 4.426 MJAFYELZQYPMQG-MPQUPPDSSA-N [M+H]+ SM (d32:1) 4.13_675.54 675.5439 4.227 KYICBZWZQPCUMO-PSALXKTOSA-N [M+H]+ SM (d32:2) 3.72_673.53 673.5279 3.788 PEJGMBUENJSLLH-RHAKMSQVSA-N [M+H]+ SM (d33:1) 4.42_689.56 689.5592 4.517 LQINJRUGTUOHGS-YPDYIYJKSA-N [M+H]+ SM (d34:0) 4.94_727.57 705.5905 5.056 QHZIGNLCLJPLCU-QPPIDDCLSA-N [M+H]+ SM (d34:1) 4.72_703.58 703.5773 4.816 RWKUXQNLWDTSLO-GWQJGLRPSA-N [M+H]+ SM (d34:2) 4.23_701.56 701.5602 4.326 YLWSJLLZUHSIEA-CKSUKHGVSA-N [M+H]+ SM (d36:0) 5.61_733.62 733.6218 5.761 JCELSEVNSMXGKA-IOLBBIBUSA-N [M+H]+ SM (d36:1) 5.35_731.61 731.608 5.537 LKQLRGMMMAHREN-YJFXYUILSA-N [M+H]+ SM (d36:2) 4.82_729.59 729.5917 4.933 NBEADXWAAWCCDG-QDDWGVBQSA-N [M+H]+ SM (d37:1) 5.72_745.62 745.6218 5.954 HAFQHLHNPJDAGB-MAJDXUCPSA-N [M+H]+ SM (d38:0) 6.29_761.65 761.6531 6.526 UGRZESKDAPEULH-ACEXITHZSA-N [M+H]+ SM (d38:1) 6.02_759.64 759.6387 6.201 AADLTHQNYQJHQV-SVLGDMRNSA-N [M+H]+ SM (d38:2) 5.46_757.62 757.6213 5.629 MDRFMTLYKHBJTF-NQYLGBTJSA-N [M+H]+ SM (d39:1) 6.37_773.65 773.6527 6.571 YXSZOBWVQJIWNE-LUJNSPTCSA-N [M+H]+ SM (d39:2) 5.82_771.64 771.6375 5.969 SDUGEKJCGFHJRC-IYXZHQORSA-N [M+H]+ 2 conformations SM (d40:0) 6.96_789.68 789.6844 7.135 FONAXCRWZQFJHY-JCGOJSMZSA-N [M+H]+ SM (d40:1) 6.69_787.67 787.6704 6.894 FJJANLYCZUNFSE-QVMKKYBKSA-N [M+H]+ SM (d40:2) A 6.01_785.66 785.6531 6.184 FOULCGVQZYQEQM-DNXGLLHMSA-N [M+H]+ A SM (d40:2) B 6.12_785.66 785.6531 6.322 VBFKEZGCUWHGSK-ADSSWVSQSA-N [M+H]+ B SM (d41:1) 6.90_801.68 801.6827 7.226 SXZWBNWTCVLZJN-NMIJJABPSA-N [M+H]+ SM (d41:2) 6.34_799.67 799.6686 6.637 JBDGKEXQKCCQFK-JWQIMADESA-N [M+H]+ 2 conformations SM (d42:0) 7.61_817.72 817.7157 7.781 SMJLGESYPKPRNU-CRCOQUFZSA-N [M+H]+ SM (d42:1) 7.35_815.70 815.7012 7.55 QEDPUVGSSDPBMD-XTAIVQBESA-N [M+H]+ SM (d42:2) A 6.67_813.69 813.6873 6.861 DACOGJMBYLZYDH-GXJPFUDISA-N [M+H]+ A SM (d42:2) B 6.79_813.69 813.6857 7.076 DACOGJMBYLZYDH-GXJPFUDISA-N [M+H]+ B SM (d42:3) 6.11_811.67 811.6664 6.306 TXFLWJQVQCDUDZ-BRUGZULGSA-N [M+H]+ SM (d43:1) 7.55_829.71 829.7157 7.773 LXMARZYBSFYVSY-KUQVZNNZSA-N [M+H]+ SM (d43:2) A 6.88_827.70 827.7001 7.077 PBROMOQAZGFDHQ-GPQOMLTASA-N [M+H]+ A SM (d43:2) B 6.99_827.70 827.7001 7.184 BJXQFQDUJVIUAH-XSFBYAMLSA-N [M+H]+ B SM (d44:2) 7.31_841.72 841.7157 7.596 YXEXWUZHFGYOHJ-UOJCCMJYSA-N [M+H]+ TG (14:0/14:0/14:0) 9.43_745.63 _9.43_740.68 745.6317 _740.6763 9.516 DUXYWXYOBMKGIN-UHFFFAOYSA-N [M+Na]+ _[M+NH4]+ TG (42:1) 8.95_743.62 _8.95_738.66 743.6162 _738.6606 8.953 PMWOTNASJLOLJE-BNQAGZCGSA-N [M+Na]+ _[M+NH4]+ TG (44:1) 9.43_771.65 _9.43_766.69 771.6473 _766.6919 9.541 OUKDNADVOQVFAR-NBTXLFQMSA-N [M+Na]+ _[M+NH4]+ TG (46:0) 10.36_796.74 796.7389 10.469 JWVXCFSNEOMSHH-UHFFFAOYSA-N [M+NH4]+ TG (46:1) 9.93_799.68 _9.93_794.72 799.6786 _794.7232 10.03 RSDIQTNCDWUNDP-VHXPQNKSSA-N [M+Na]+ _[M+NH4]+ TG (46:2) 9.50_797.66 _9.50_792.71 797.663 _792.7076 9.598 XUEMVUXNOCIHLG-MOFPORNTSA-N [M+Na]+ _[M+NH4]+ TG (48:0) 10.81_829.73 _10.81_824.77 829.7256 _824.7702 11.036 PVNIQBQSYATKKL-UHFFFAOYSA-N [M+Na]+ _[M+NH4]+ TG (48:1) 10.38_827.71 _10.38_822.75 827.7099 _822.7545 10.486 FEKLSEFRUGWUOS-DLOIZKPKSA-N [M+Na]+ _[M+NH4]+ TG (48:2) 9.98_825.69 _9.98_820.74 825.6943 _820.7389 10.079 RUOVJPPUXXFZPC-YZEIBMOJSA-N [M+Na]+ _[M+NH4]+ TG (49:0) 10.96_843.74 _10.96_838.79 843.7412 _838.7858 11.112 TTWJTJMWHOYBPQ-ANFMRNGASA-N [M+Na]+ _[M+NH4]+ TG (49:1) 10.59_841.73 _10.59_836.77 841.7256 _836.7702 10.685 VYYGQDOPVVYUKW-UKFBYESTSA-N [M+Na]+ _[M+NH4]+ TG (49:2) 10.18_839.71 _10.18_834.76 839.7118 _834.7545 10.262 QZYSUBAQYSVFNX-PSMULLBHSA-N [M+Na]+ _[M+NH4]+ TG (50:0) 11.20_857.76 _11.20_852.80 857.7569 _852.8015 11.298 MARPCPMDFOPPJX-UHFFFAOYSA-N [M+Na]+ _[M+NH4]+ TG (50:1) 10.80_855.7 _410.80_850.79 855.7412 _850.7858 10.908 YHMDGPZOSGBQRH-YYSBDVFPSA-N [M+Na]+ _[M+NH4]+ TG (50:2) 10.41_853.73 _10.41_848.77 853.7256 _848.7702 10.51 QEZWFCZNHWUARW-XQCAQTCHSA-N [M+Na]+ _[M+NH4]+ TG (50:3) 10.01_851.71 _10.01_846.76 851.7099 _846.7545 10.104 UFHNZOACKFBCOM-YXKNDSBASA-N [M+Na]+ _[M+NH4]+ TG (51:1) 10.93_869.76 _10.93_864.80 869.7569 _864.8015 11.042 OZAXLAGNPZMZAD-BOEMPQCLSA-N [M+Na]+ _[M+NH4]+ (2 conformations) TG (51:2) 10.61_867.74 _10.61_862.79 867.7412 _862.7858 10.71 NSNSZGBCOIKUBU-SZOKBDNISA-N [M+Na]+ _[M+NH4]+ TG (52:0) 11.56_885.79 _11.56_880.83 885.7882 _880.8328 11.697 SDNYRTVJOFMYIW-OIVUAWODSA-N [M+Na]+ _[M+NH4]+ TG (52:1) 11.20_883.77 _11.20_878.82 883.7725 _878.8171 11.306 NPCZZYKITFKRQZ-RFBIWTDZSA-N [M+Na]+ _[M+NH4]+ TG(18:0/16:0/18:1) TG (52:2) 10.88_881.76 _10.88_876.80 881.7569 _876.8015 10.917 TXMWKTABZBAJCW-QLHBUVOUSA-N [M+Na]+ _[M+NH4]+ TG (52:3) 10.46_879.74 _10.46_874.79 879.7412 _874.7858 10.56 DQXQIWIQYYEGLG-MMWLGPPDSA-N [M+Na]+ _[M+NH4]+ TG (52:4) 10.09_877.73 _10.09_872.77 877.7256 _872.7702 10.187 WHSWXEYWNPTUPW-HNJDVRDNSA-N [M+Na]+ _[M+NH4]+ 2 conformations TG (52:5) 9.71_875.71 _9.71_870.76 875.7099 _870.7545 9.814 CQZAAIKPSLHIBC-KDJOUNIJSA-N [M+Na]+ _[M+NH4]+ (2 conformations) TG (53:1) 11.35_897.79 _11.35_892.83 897.7882 _892.8328 11.536 WWJIBIGWKGFVAQ-JNSYTQKUSA-N [M+Na]+ _[M+NH4]+ TG (53:3) 10.64_893.76 _10.64_888.80 893.7569 _888.8015 10.886 ZNQBEJJYVJSZLM-LEDQTTRKSA-N [M+Na]+ _[M+NH4]+ TG (54:1) 11.56_911.80 _11.56_906.85 911.8038 _906.8484 11.697 YFFIQXNTTVSKJC-NZEOUKRFSA-N [M+Na]+ _[M+NH4]+ TG (54:2) 11.20_909.79 _11.20_904.83 909.7882 _904.8328 11.306 WUUWGORPQFKFQN-XDVOZUNOSA-N [M+Na]+ _[M+NH4]+ TG (54:3) 10.84_907.77 _10.84_902.82 907.7725 _902.8171 10.943 PHYFQTYBJUILEZ-IUPFWZBJSA-N [M+Na]+ _[M+NH4]+ TG (54:4) 10.48_905.7610.48_900.80 905.7569 _900.8015 10.577 BRLGHZXETDWABO-NOFIOOQLSA-N [M+Na]+ _[M+NH4]+ TG (54:5) A 10.10_903.74 _10.10_898.79 903.7412 _898.7858 10.286 VVEBTVMJPTZDHO-YQFZQLSNSA-N [M+Na]+ _[M+NH4]+ possible (18:1/18:2/18:2) TG (54:5) B 10.32_903.74 _10.32_898.79 903.7412 _898.7858 10.486 OEJXMJPFOHYSIU-GRLFFVHSSA-N [M+Na]+ _[M+NH4]+ TG (54:6) A 9.70_901.73 _9.70_896.77 901.7256 _896.7702 9.906 HBOQXIRUPVQLKX-BBWANDEASA-N [M+Na]+ _[M+NH4]+ possible(18:2/18:2/18:2) TG (56:1) 11.85_939.84 _11.85_934.88 939.8351 _934.8797 11.971 OCYFAHIHWCVZKS-FHSLLVMSSA-N [M+Na]+ _[M+NH4]+ TG (56:2) 11.56_937.82 _11.56_932.86 937.8195 _932.8641 11.697 PDEQUPGHMOMBFC-FYEHETCMSA-N [M+Na]+ _[M+NH4]+ TG (56:3) 11.20_935.80 _11.20_930.85 935.8038 _930.8484 11.306 QXMHHXQBBKDSSL-BAQZNRHJSA-N [M+Na]+ _[M+NH4]+ probable (18:1/18:1/20:1) TG (56:4) 10.88_933.79 _10.88_928.83 933.7882 _928.8328 11.086 YONCDTJKIZDSKQ-IYASBODOSA-N [M+Na]+ _[M+NH4]+ TG (56:7) 9.96_927.74 _9.96_922.79 927.7412 _922.7858 10.146 DODZUDCYRVWEOJ-GKZBLMSTSA-N [M+Na]+ _[M+NH4]+ possible (16:0/18:1/20:5) TG (58:1) 11.99_967.87 _11.99_962.91 967.8664 _962.911 12.112 OWZMHFAFGQCCNI-FBXRAONGSA-N [M+Na]+ _[M+NH4]+ TG (58:2) 11.85_965.85 _11.85_960.90 965.8508 _960.8954 11.971 NFQQJRGJJVQGAV-MEADVOAOSA-N [M+Na]+ _[M+NH4]+ TG (60:2) 11.99_993.88 _11.99_988.93 988.9267 _993.8821 12.112 QPNVLDQSHXVPMG-JMYPUKFOSA-N [M+Na]+ _[M+NH4]+ METABOLITES_END #END