#METABOLOMICS WORKBENCH araskind_20170714_082121 DATATRACK_ID:1134 STUDY_ID:ST000823 ANALYSIS_ID:AN001309 PROJECT_ID:PR000510 VERSION 1 CREATED_ON August 2, 2017, 11:14 am #PROJECT PR:PROJECT_TITLE Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic PR:PROJECT_TITLE Mucinous Neoplasm PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Identify novel cystic fluid biomarkers to guide clinical management of patients PR:PROJECT_SUMMARY with intraductal pancreatic mucinous neoplasm (IPMN) by metabolic profiling of PR:PROJECT_SUMMARY the cyst fluid. PR:INSTITUTE University of Michigan PR:DEPARTMENT Pathology PR:LABORATORY Shi Lab PR:LAST_NAME Shi PR:FIRST_NAME Jiaqi PR:ADDRESS Ann Arbor, MI PR:EMAIL jiaqis@umich.edu PR:PHONE 734-647-3967 #STUDY ST:STUDY_TITLE Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic ST:STUDY_TITLE Mucinous Neoplasm ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY The pancreatic cyst fluids were collected using a syringe aspiration of the cyst ST:STUDY_SUMMARY fluid immediately after surgical resection of the lesion. The cyst fluid were ST:STUDY_SUMMARY then aliquoted and stored in -80C freezer until ready to use. We plan on ST:STUDY_SUMMARY performing untargeted metabolomics analysis and unknown lipid analysis and ST:STUDY_SUMMARY identification on these pancreatic cyst fluid to find potential biomarkers that ST:STUDY_SUMMARY correlate with histopathological assessment and clinical behavior of these ST:STUDY_SUMMARY cystic lesions and thus to guide clinical management of patients. Abbreviations: ST:STUDY_SUMMARY IPMN - Intraductal Pancreatic Mucinous Neoplasm; MCN - mucinous cystic neoplasm; ST:STUDY_SUMMARY SCA - serous cystadenoma. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 5 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE HUMAN SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0017554 S00027596 Diagnosis:MCN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017555 S00027597 Diagnosis:IPMN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017556 S00027598 Diagnosis:SCA | Dysplasia:N/A SUBJECT_SAMPLE_FACTORS SU0017557 S00027599 Diagnosis:SCA | Dysplasia:N/A SUBJECT_SAMPLE_FACTORS SU0017558 S00027600 Diagnosis:IPMN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017559 S00027601 Diagnosis:IPMN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017560 S00027602 Diagnosis:MCN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017561 S00027603 Diagnosis:MCN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017562 S00027604 Diagnosis:IPMN | Dysplasia:LGD SUBJECT_SAMPLE_FACTORS SU0017563 S00027605 Diagnosis:SCA | Dysplasia:N/A #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003_-_Untargeted_Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples S00027596 S00027597 S00027598 S00027599 S00027600 S00027601 S00027602 S00027603 S00027604 S00027605 Factors Diagnosis:MCN | Dysplasia:LGD Diagnosis:IPMN | Dysplasia:LGD Diagnosis:SCA | Dysplasia:N/A Diagnosis:SCA | Dysplasia:N/A Diagnosis:IPMN | Dysplasia:LGD Diagnosis:IPMN | Dysplasia:LGD Diagnosis:MCN | Dysplasia:LGD Diagnosis:MCN | Dysplasia:LGD Diagnosis:IPMN | Dysplasia:LGD Diagnosis:SCA | Dysplasia:N/A CE(16:0); [M+NH4]+@11.01 678 7174 2845 2712 145 138 4395 457 257 CE(16:1); [M+NH4]+@10.73 613 2784 1033 1268 86 2175 CE(18:1); [M+NH4]+@10.98 3327 34140 22479 13373 127 23764 2922 3068 CE(18:2); [M+NH4]+@10.76 4803 266440 145533 109223 166 272 96007 2364 5541 33954 CE(18:3); [M+NH4]+@10.58 92 15475 10535 5498 65 5985 378 468 1500 CE(20:3); [M+NH4]+@10.82 4302 21324 12963 5013 432 6170 798 1358 CE(20:4); [M+NH4]+@10.64 5533 97003 46923 26388 250 76 24444 56 3481 22280 CE(20:5); [M+NH4]+@10.47 12147 3143 1675 278 1384 287 1049 CE(22:6); [M+NH4]+@10.58 154 19638 6007 4341 90 138 3098 174 1277 DG 30:0; [M+NH4]+@7.44 2615 2846 2228 2458 2094 1225 2301 500 743 1085 DG 32:0; [M+NH4]+@7.99 1760 3314 4473 3274 1511 1028 2321 2793 2697 1392 DG 32:1; [M+NH4]+@7.54 1270 2073 567 3108 338 1467 1800 587 4196 983 DG 32:2; [M+NH4]+@7.10 617 1480 662 999 638 113 1628 369 1046 195 DG 34:1; [M+NH4]+@8.06 555 9744 4506 12557 721 501 14712 1740 9808 1996 DG 34:2; [M+NH4]+@7.66 1558 9890 4500 4314 468 844 6641 847 4499 1747 DG 34:3; [M+NH4]+@7.23 2494 440 523 624 976 1145 3470 527 DG 36:0; [M+NH4]+@8.94 5658 7304 5897 6974 7089 5288 8611 6586 6917 8838 DG 36:1; [M+NH4]+@8.55 769 2955 5761 2883 1284 133 20388 789 22668 858 DG 36:2; [M+NH4]+@8.15 1199 13278 6986 4543 450 994 12150 1209 4753 1304 DG 36:3; [M+NH4]+@7.74 601 7288 802 6976 1127 2379 207 2168 1413 DG 36:4; [M+NH4]+@7.67 540 7329 2582 497 1154 724 4406 1599 1877 3759 DG 36:5; [M+NH4]+@7.04 519 1179 252 333 611 1208 1397 DG 38:3; [M+NH4]+@8.34 1685 5464 580 2199 20257 1295 16735 DG 38:4; [M+NH4]+@8.14 1743 4372 13590 1154 2857 14082 1419 8883 750 DG 38:5; [M+NH4]+@7.66 1629 1528 1389 1082 343 1202 563 663 1458 1593 DG 38:6; [M+NH4]+@7.33 560 1843 712 516 453 2883 1441 DG 40:5; [M+NH4]+@8.12 1129 265 1216 497 DG 40:7; [M+NH4]+@7.63 201 830 1032 411 621 1053 841 IS CE 17:0; [M+NH4]+ 5315 7547 7869 6686 4499 3912 7667 4772 5208 8791 IS Ceramide;[M-H20]+ 13514142 12020729 14169443 16240420 17165305 16234369 13111802 14769870 15490637 14531451 IS D31-TAG 944426 1077832 1715960 1353943 1524804 1161956 1485826 905187 1256124 1449032 IS DG 34:1; [M+NH4]+ 566 8628 4506 8342 709 497 14799 1680 9799 2071 IS MG 17:0; [M+NH4]+ 154954 177462 212926 243780 253800 187727 189452 168411 188736 180147 IS PC 34:0; [M+H]+ 5540677 4974497 6744077 7993720 7722424 7768848 6035483 5791455 7750004 6948147 IS PE 34:0; [M+H]+ 1250701 1038037 3064156 2794630 2696893 2577315 1306202 1190995 2867239 2697204 IS PS 34:0;[M+H]+ 123712 289373 566685 211793 68870 110306 360747 309515 205606 147063 IS SM 35:1;[M+H]+ 4108316 4747138 4649478 4722401 3485655 4009625 4171359 4646377 4526270 4451727 IS TG 51:0; [M+NH4]+ 1639019 1662853 2142597 1807188 1587384 1568019 2140438 1085241 1211350 2374453 IS d5-DAG 653890 662545 933280 1345025 958566 1054432 633355 596880 870232 882112 IS lysoPC 17:0;[M+H]+ 5316888 5060411 5027514 5014972 4337067 4392200 5601100 5591741 5821787 5223070 MG 17:0; [M+Li]+@3.21 73128 70472 137541 131330 115146 125948 78506 74879 141875 111633 PC 28:0; [M+Na]+@5.28 1902 349 1005 1536 744 52 266 PC 30:0; [M+Na]+@6.02 1721 10703 6741 2440 442 3585 933 3543 2122 PC 30:1; [M+Na]+@5.49 93 402 2564 3113 696 501 111 1461 PC 30:3; [M+H]+@5.32 44 1557 1534 1296 2523 427 562 115 198 485 PC 32:0; [M+Na]+@6.67 39020 137734 88277 118456 19785 12994 26308 13098 25865 34224 PC 32:1; [M+Na]+@6.13 4350 55757 8698 15184 1017 2227 21337 815 11599 9017 PC 32:2; [M+Na]+@5.66 237 2769 1215 1131 1583 1028 162 3238 1471 PC 33:2; [M+Na]+@6.05 911 4913 3105 1725 1181 2431 2679 1259 2188 1708 PC 34:1; [M+Na]+@6.77 17852 271798 233848 280491 6174 19442 125363 13155 98980 62778 PC 34:2; [M+Na]+@6.36 7575 128989 46399 62011 3489 2117 18854 820 11300 27784 PC 34:3; [M+Na]+@5.79 480 4379 3794 2803 349 69 580 140 1471 813 PC 34:4; [M+Na]+@5.54 400 104 55 474 643 261 314 379 223 PC 35:3; [M+Na]+@6.13 334 4262 638 859 1707 1024 517 475 PC 36:0; [M+Na]+@7.79 13354 10234 15491 21911 18394 12497 24613 13981 22777 19114 PC 36:1; [M+Na]+@7.37 3434 49259 15491 29444 7092 2011 18017 2148 6801 4366 PC 36:2; [M+Na]+@6.98 11584 228732 69058 214017 2035 3828 36442 5096 28813 55953 PC 36:3; [M+H]+@7.25 512862 402367 436227 471230 526602 472318 394899 518268 460637 531118 PC 36:3; [M+Na]+@6.49 2873 91610 21196 57969 2243 1733 2963 12020 PC 36:4; [M+H]+@4.43 228 184 107 96 528 786 335 34 24 PC 36:4; [M+H]+@8.59 538 1103 229 319 185 652 64 PC 36:4; [M+Na]+@6.11 3733 42357 17288 2280 1265 6564 1235 10665 PC 36:5; [M+H]+@4.42 296 250 63 99 101 12 1125 149 12 PC 36:5; [M+Na]+@5.55 2290 101096 82390 62853 63744 1159 91766 86245 PC 36:6; [M+Na]+@5.51 93 2082 3406 529 689 440 120 396 PC 36:7; [M+H]+@5.38 226 459 264 473 418 779 249 99 474 289 PC 38:4; [M+Na]+@6.88 2782 101878 8414 91775 2846 862 3292 943 3827 33638 PC 38:5; [M+H]+@5.15 110 877 161 59 360 125 262 PC 38:6; [M+H]+@5.15 751 59 163 1701 654 252 941 PC 38:6; [M+Na]+@6.17 8413 40342 5771 8686 278 474 3727 486 1290 2280 PC 38:7; [M+Na]+@5.60 109 1438 2235 827 1109 395 38 12 889 1182 PC 40:10; [M+H]+@5.56 93 1107 2305 1108 1556 223 360 680 850 PC 40:5; [M+Na]+@7.20 61 17933 1113 14868 468 263 780 37 2533 PC 40:6; [M+Na]+@6.82 706 17637 1140 12381 114 234 687 132 683 4691 PC 40:7; [M+H]+@5.30 437 1715 276 359 706 844 12 485 PC 40:8; [M+Na]+@5.81 697 502 1474 2180 752 813 219 1830 1495 PC 40:9; [M+H]+@5.95 6832 36569 4043 7922 587 311 3413 380 1072 2230 PC 42:10; [M+Na]+@5.76 511 32 489 1049 357 453 410 PC 42:5; [M+H]+@8.11 233 885 896 196 368 1134 574 770 PC 42:9; [M+H]+@6.83 16027 1022 8751 266 984 63 739 3782 PC 44:4; [M+H]+@8.54 1109 162 253 1070 213 1866 51 PE 32:0; [M+H]+@6.80 1520 3381 3552 1791 858 2425 1451 2496 1445 1272 PE 33:0; [M+H]+@7.12 3529 2117 2950 3670 2458 1581 3679 2985 3452 3614 PE 34:1; [M+H]+@6.89 6220 3891 10392 1699 2460 2181 39313 1886 38000 1393 PE 34:2; [M+H]+@6.43 8209 9287 8473 5686 1739 2166 9677 5496 7149 2536 PE 35:1; [M+H]+@7.11 64 978 799 307 688 2113 3751 2592 7451 2193 PE 36:0; [M+H]+@7.90 11463 8174 11441 13632 12224 9239 10556 14029 12742 PE 36:1; [M+H]+@7.47 5052 5768 17807 10272 8968 5763 27685 1644 93439 8789 PE 36:2; [M+H]+@7.02 10833 8793 5419 15046 13941 10121 41819 11541 39925 14884 PE 36:4; [M+H]+@6.47 47784 15967 29803 20943 28892 33252 5081 3033 21132 39419 PE 36:5; [M+H]+@6.05 6473 7639 3160 310 531 716 2346 482 1139 603 PE 38:4; [M+H]+@7.06 102383 51341 43015 41608 12725 10789 12990 3843 11463 8064 PE 40:5; [M+H]+@7.11 1130 2095 867 1889 530 2850 103 PE 40:6; [M+H]+@6.95 6852 3104 2879 1884 1330 1599 1635 647 PS 36:1; [M+Na]+@6.73 3684 13154 1657 2060 59951 5484 48029 3464 SM 30:1; [M+Na]+@4.42 1142 3989 4202 3306 2554 2443 2448 654 3384 4427 SM 30:1; [M]+@4.44 2917 17474 5347 6313 3916 3248 9621 4811 7862 5356 SM 32:0; [M+Na]+@5.44 640 18475 585 617 17153 163 4542 121 SM 32:0; [M]+@5.50 1242 11607 2771 1347 328 16804 1398 5266 1611 SM 32:1; [M+Na]+@5.17 4106 336788 33048 6976 649 639 213888 449 39591 4153 SM 32:2; [M+Na]+@4.51 5593 372 541 391 675 3216 191 689 500 SM 32:2; [M]+@4.60 858 32877 3956 560 514 1867 9438 4788 3386 SM 33:1; [M+Na]+@5.53 4527 273554 23390 8175 3389 1219 163786 934 120828 6151 SM 33:1; [M]+@5.70 13896 452361 72103 37458 2397 3059 207953 1523 146787 23763 SM 34:0; [M+Na]+@6.17 11126 170784 90181 20507 2587 1555 699493 2300 226260 12498 SM 34:0; [M]+@6.13 57442 621733 268091 85878 3190 6845 2699260 5743 1163292 76036 SM 34:1; [M+Na]+@5.87 232738 766744 522601 372723 25595 18784 788133 22953 662689 253387 SM 34:1; [M]+@5.84 384895 5795250 1875149 785195 96894 82203 5866286 63136 3496203 702316 SM 34:2; [M+Na]+@5.34 5066 511774 39827 5187 269 172014 467 23623 6790 SM 35:2; [M+Na]+@5.73 1223 23106 4180 1701 902 1203 11912 51 3884 1140 SM 36:0; [M]+@6.85 2994 45733 29419 12667 704 868 59718 810 10703 9425 SM 36:1; [M+Na]+@6.61 19140 140493 76630 51045 8518 3216 122619 3804 58444 37406 SM 36:2; [M+Na]+@6.10 6695 249412 46109 23683 225 212 107954 534 12670 15114 SM 37:1; [M]+@6.90 7816 56002 20000 16850 4681 5327 23067 5537 12271 10231 SM 38:1; [M+Na]+@7.22 1883 32269 18058 12348 1315 856 14792 1607 4385 10893 SM 38:2; [M+Na]+@6.76 2033 43977 29582 20967 240 577 44019 706 8100 10892 SM 38:2; [M]+@6.77 5815 225726 42158 33869 299 54763 630 8469 18058 SM 38:4; [M]+@5.74 181 15483 3050 2103 5999 184 652 SM 39:1; [M+Na]+@7.54 4140 86798 26984 17654 283 470 39997 1071 20385 12992 SM 39:2; [M]+@7.07 766 36073 5766 9204 263 135 9076 202 2676 3950 SM 40:0; [M+Na]+@7.96 24351 21690 833 854 62246 1615 41906 12692 SM 40:1; [M+Na]+@7.76 29750 144423 185436 84818 4783 847 145636 2819 138702 84879 SM 40:2; [M+Na]+@7.31 6284 92899 28607 29662 723 479 41139 563 8697 15785 SM 40:2; [M]+@7.24 28924 891113 608013 433112 7369 2271 308060 1982 143267 248526 SM 40:4; [M]+@6.36 1013 27912 3319 5389 844 452 9849 102 2682 681 SM 41:1; [M+Na]+@8.02 9535 198924 81282 26924 2715 1335 188121 633 176170 23788 SM 41:1; [M]+@8.06 19219 224890 70856 43372 4230 1181 164927 1824 147262 35037 SM 41:2; [M+Na]+@7.60 3856 217011 44148 28110 411 69149 561 53240 24515 SM 42:0; [M+Na]+@8.48 4831 22784 36970 3877 435 850 138181 2265 87092 8112 SM 42:0; [M]+@8.48 6314 31260 34526 6443 3360 198249 4298 124330 10780 SM 42:1; [M+Na]+@8.27 32034 285549 367545 37358 7906 3290 393059 2051 323252 48605 SM 42:2; [M+Na]+@7.78 48409 601151 371751 181739 8261 2225 361220 1880 299053 154716 SM 42:2; [M]+@7.69 140930 1720326 471178 246227 15616 6044 523400 7950 307051 169834 SM 42:4; [M+Na]+@6.95 1915 90422 11013 15537 349 147 18353 348 7853 8229 SM 42:4; [M]+@7.05 4548 236625 23722 26148 2412 1317 37336 436 10431 9886 SM 42:5; [M]+@6.54 617 53323 4601 7916 364 320 6234 1092 SM 43:0; [M]+@8.68 4436 3338 1163 858 101 29635 976 16762 1220 SM 43:1; [M+Na]+@8.45 2539 12296 33879 2440 4475 989 71101 3761 74389 4111 SM 43:1; [M]+@8.49 3038 20482 21449 8158 2131 2283 72675 64185 6805 SM 43:2; [M+Na]+@8.01 1026 42795 18280 5324 1432 550 33414 207 44434 4624 SM 43:2; [M]+@8.12 1015 58303 14789 9484 950 364 32055 460 34782 6597 SM 44:1; [M+Na]+@8.73 215 1212 9674 1389 1759 706 57373 979 78973 6041 SM 44:1; [M]+@8.56 961 2285 13117 907 2235 532 57917 1888 79321 6374 SM 44:2; [M+Na]+@8.27 429 8803 15091 1524 1456 484 22730 106 50255 4849 SM 44:2; [M]+@8.27 2655 11356 17144 2789 950 434 39094 255 54948 7347 SM 45:1; [M]+@8.98 668 268 371 7941 124 10507 1195 TG 40:0; [M+NH4]+@9.51 3150 1553 2389 2140 2956 2695 11220 1909 5201 1841 TG 40:0; [M+Na]+@9.54 12028 11765 5539 2108 3018 4421 14472 7911 6661 2872 TG 40:1; [M+NH4]+@9.21 1237 2152 552 611 483 585 2605 565 271 TG 42:0; [M+NH4]+@9.80 1528 2674 1350 2368 3125 1982 8123 1760 7167 1941 TG 42:0; [M+Na]+@9.83 1860 2542 3452 2254 3090 3843 13019 1948 7657 2626 TG 42:1; [M+NH4]+@9.55 291 1413 519 2027 790 429 11780 279 3049 933 TG 44:1; [M+NH4]+@9.85 418 3841 323 2491 250 769 10335 335 9213 326 TG 44:2; [M+NH4]+@9.59 238 2199 377 674 29 271 8054 951 4319 784 TG 46:0; [M+NH4]+@10.39 805 8971 4344 4428 1867 3075 21271 3889 12937 4954 TG 46:0; [M+Na]+@10.18 4954 10340 6235 3382 3453 3675 21778 2387 27419 5299 TG 46:1; [M+NH4]+@10.13 1566 9392 1363 13509 4953 5733 31334 1488 21771 3077 TG 46:2; [M+NH4]+@9.89 295 6867 488 7753 263 19498 173 22851 1821 TG 46:3; [M+NH4]+@9.68 739 1710 453 2022 64 628 3602 436 5201 111 TG 48:0; [M+NH4]+@10.62 3879 17101 6780 7302 3472 2580 26620 3074 11664 4487 TG 48:1; [M+NH4]+@10.37 1195 37314 1904 25802 1416 967 81580 1419 28542 2099 TG 48:1; [M+Na]+@9.05 301 707 582 231 1225 282 200 940 TG 48:2; [M+NH4]+@10.17 2095 26784 836 25969 1010 927 52961 313 24235 1927 TG 48:3; [M+NH4]+@9.94 655 12946 1006 11175 241 583 16799 122 9477 835 TG 49:0; [M+NH4]+@10.74 3489 5728 4947 3899 3248 2899 10336 3569 8040 3193 TG 49:1; [M+NH4]+@10.53 674 8236 1928 4179 357 462 7877 637 14140 436 TG 49:2; [M+NH4]+@10.31 414 12586 196 3040 420 227 10162 313 21765 946 TG 49:3; [M+NH4]+@10.09 1377 5202 460 1748 575 1706 249 6418 290 TG 50:0; [M+NH4]+@10.86 3408 23471 9106 17133 3994 7161 42346 4559 9071 8614 TG 50:0; [M+Na]+@10.87 11798 13149 24775 32409 12389 7415 43032 3704 15077 16867 TG 50:1; [M+NH4]+@10.63 752 100235 6509 60670 1578 1276 148407 1136 19614 6086 TG 50:1; [M+Na]+@9.35 317 1026 533 5599 241 152 11113 505 192 6164 TG 50:2; [M+NH4]+@10.43 1439 163081 2670 106004 249 568 161538 1055 15539 3316 TG 50:2; [M+Na]+@10.44 1677 98179 4623 101229 734 554 115754 1335 24040 6714 TG 50:3; [M+NH4]+@10.21 322 87810 1932 58089 143 402 66202 777 12139 3897 TG 50:3; [M+Na]+@8.87 1141 66 204 1097 245 TG 50:4; [M+NH4]+@10.02 181 28153 554 19062 1131 884 18158 908 4105 1862 TG 50:5; [M+NH4]+@9.81 871 5753 246 1963 938 690 4810 114 404 437 TG 51:1; [M+NH4]+@10.77 9132 2379 663 345 14506 1310 8718 777 TG 51:1; [M+Na]+@10.77 416 6583 656 8520 1264 89 11788 1093 18368 1132 TG 51:2; [M+NH4]+@10.56 334 15502 1046 6383 158 19215 10254 991 TG 51:3; [M+NH4]+@10.37 282 20635 392 6546 119 11881 180 9041 676 TG 51:4; [M+NH4]+@10.18 1231 245 1262 2996 943 TG 52:0; [M+NH4]+@11.09 6107 12196 11647 7278 6987 3294 22398 2668 5361 8214 TG 52:0; [M+Na]+@11.12 8528 25148 17255 22637 8850 6751 16289 5077 7868 12121 TG 52:1; [M+NH4]+@10.85 741 89811 497 41707 665 1036 101916 758 6484 3468 TG 52:1; [M+Na]+@10.53 1284 115761 8721 69029 600 1689 100408 1046 14996 7751 TG 52:2; [M+NH4]+@10.65 1896 389087 9087 235205 2149 1179 340139 582 13007 18693 TG 52:3; [M+NH4]+@10.45 1167 450330 4414 208997 1152 663 239710 394 11170 22491 TG 52:3; [M+Na]+@10.43 687 264890 8496 161052 1592 1429 147925 1516 12296 18105 TG 52:4; [M+NH4]+@10.26 1391 274289 4891 123155 1342 752 136271 1912 6931 19389 TG 52:5; [M+NH4]+@10.11 563 60675 1919 32374 1460 1209 25096 1014 1397 3624 TG 52:5; [M+Na]+@10.07 408 52248 2195 42283 260 1483 23440 471 4134 5996 TG 52:6; [M+Na]+@9.85 143 11338 201 6184 23 4986 228 493 755 TG 53:0; [M+NH4]+@11.20 26902 24038 34624 33510 27136 24244 37861 17254 20855 46111 TG 53:1; [M+NH4]+@10.98 790 9508 865 2337 136 264 2663 4434 818 TG 53:2; [M+NH4]+@10.81 292 14329 537 3948 70 303 10869 298 3038 992 TG 53:3; [M+NH4]+@10.61 15802 871 6656 13 437 12732 2044 542 TG 53:4; [M+NH4]+@10.41 272 21183 3385 774 470 9569 343 2048 1787 TG 53:5; [M+NH4]+@10.22 326 292 3629 320 614 629 196 TG 54:0; [M+NH4]+@11.34 1502 658 1869 1108 1619 1056 10801 103 2075 3347 TG 54:1; [M+NH4]+@11.12 2153 11215 1325 3489 1716 171 21202 4650 205 TG 54:2; [M+NH4]+@10.90 1214 57776 1901 29337 269 800 63603 302 1925 3910 TG 54:3; [M+NH4]+@10.69 847 131524 5967 72313 725 408 129110 593 7417 8157 TG 54:4; [M+NH4]+@10.50 800 149091 3310 64437 2021 332 81520 623 5924 6922 TG 54:5; [M+NH4]+@10.30 105 141401 4394 65976 2109 1435 67012 1158 3650 12771 TG 54:6; [M+NH4]+@10.12 333 50255 2805 29873 69 1269 27512 839 1839 5202 TG 54:6; [M+Na]+@10.13 607 53420 3871 36477 1136 1075 27574 307 2299 10974 TG 54:7; [M+NH4]+@9.90 786 15689 817 347 128 470 10682 88 665 1166 TG 54:8; [M+NH4]+@9.77 580 3529 542 819 195 1634 229 417 595 TG 55:3; [M+NH4]+@10.83 865 6428 1811 1086 161 2195 1673 19 TG 55:7; [M+NH4]+@10.13 811 206 973 362 852 33 TG 56:0; [M+NH4]+@11.61 438 400 881 294 477 78 134 254 1852 TG 56:1; [M+NH4]+@11.36 850 211 9 355 1192 299 4263 250 TG 56:2; [M+NH4]+@11.14 777 3640 2560 610 570 580 8177 862 3072 285 TG 56:3; [M+NH4]+@10.93 3450 607 3930 104 9713 173 837 338 TG 56:4; [M+NH4]+@10.77 18108 613 4870 232 398 10703 205 2477 861 TG 56:5; [M+NH4]+@10.62 1259 33399 1171 8318 286 215 15319 402 1137 398 TG 56:5; [M+Na]+@10.60 1197 36870 617 11933 370 469 10475 251 973 2058 TG 56:6; [M+NH4]+@10.43 37789 806 7434 795 19896 486 621 3748 TG 56:7; [M+NH4]+@10.30 37348 1313 11206 773 275 9276 556 3075 TG 56:8; [M+NH4]+@10.09 15380 729 5084 163 3462 1141 TG 58:1; [M+NH4]+@11.63 802 333 58 271 257 3018 236 1583 89 TG 58:10; [M+NH4]+@10.00 1528 340 290 111 835 217 184 355 TG 58:11; [M+NH4]+@9.84 284 385 359 137 233 307 123 TG 58:12; [M+NH4]+@9.69 110 76 208 493 72 273 248 454 TG 58:2; [M+NH4]+@11.40 914 495 92 203 2561 2734 182 TG 58:3; [M+NH4]+@11.19 339 972 114 195 2115 1359 436 309 TG 58:4; [M+NH4]+@10.98 436 698 236 1695 34 1443 TG 58:5; [M+NH4]+@10.85 5769 545 57 170 1267 272 808 607 TG 58:6; [M+NH4]+@10.65 2933 1743 347 5 3625 247 127 78 TG 58:8; [M+NH4]+@10.30 8973 52 1512 278 381 5092 468 1070 TG 58:9; [M+NH4]+@10.22 4804 251 1759 230 3078 239 448 TG 60:10; [M+NH4]+@10.25 251 3410 358 225 384 519 169 TG 60:11; [M+NH4]+@10.08 2 867 81 204 142 225 188 TG 60:12; [M+NH4]+@9.94 36 275 37 133 287 126 TG 60:12; [M+Na]+@9.95 193 675 197 326 155 261 269 TG 60:9; [M+NH4]+@10.41 741 31 228 1258 190 lysoPC 14:0; [M+Na]+@1.14 626 639 412 1353 229 733 987 890 lysoPC 15:0; [M+Na]+@1.29 607 3443 3888 729 400 607 2150 lysoPC 16:0; [M+H]+@1.63 25744 502094 181899 49993 6301 7142 106895 9093 37681 101779 lysoPC 16:0; [M+Na]+@1.70 3690 15027 913 4416 972 4250 lysoPC 18:0; [M+H]+@2.39 32221 373444 256846 59127 9606 17648 144151 17552 63167 67193 lysoPC 18:0; [M+Na]+@2.95 1386 4772 1381 804 893 1514 1900 603 1122 lysoPC 18:1; [M+H]+@1.77 5024 183507 20390 20233 898 1015 53241 1163 6477 31861 lysoPC 18:1; [M+Na]+@1.90 3477 74064 3521 4682 11949 1398 7512 lysoPC 18:2; [M+H]+@1.39 3691 41650 3206 5279 1318 10499 1851 26432 lysoPC 18:2; [M+Na]+@1.17 395 6535 865 3296 1093 1092 1431 253 299 4929 lysoPC 18:3; [M+Na]+@1.14 704 776 2089 996 1498 84 98 919 1 lysoPC 19:0; [M+H]+@2.93 30797 29246 32242 27595 32964 25854 29587 33777 27457 24815 lysoPC 19:0; [M+Na]+@2.93 3753 6681 5980 5365 4789 5608 4790 5888 5582 4329 lysoPC 20:0; [M+Na]+@3.40 362 759 5886 5318 3873 844 1000 3769 lysoPC 22:4; [M+Na]+@1.87 973 3305 1618 1186 435 616 789 447 1095 lysoPC 22:5; [M+Na]+@1.52 2602 2309 361 5013 lysoPC 23:0; [M+H]+@4.77 1355 1552 510 549 3372 10 22980 1080 lysoPC 24:0; [M+H]+@5.19 1067 8713 7853 852 256 788 23514 323 24211 960 lysoPC 24:1; [M+H]+@4.33 579 4319 964 205 363 155 3265 296 1629 lysoPE 16:0; [M+H]+@1.72 1196 2461 9381 2045 4591 6800 7456 3230 lysoPE 17:0; [M+H]+@7.34 6171 384 11731 5035 7784 9130 4779 2650 8945 7339 lysoPE 18:0; [M+H]+@2.57 4556 6071 23932 2488 824 1371 30537 1688 40412 5557 lysoPE 18:0; [M+Na]+@2.79 2577 6875 877 494 765 7068 264 8436 lysoPE 18:1; [M+H]+@1.85 2032 1826 2736 657 48222 457 16141 2667 lysoPE 18:2; [M+H]+@1.49 522 892 839 505 35 263 6315 311 849 2087 lysoPE 20:3; [M+H]+@1.68 611 408 2634 1119 734 4341 147 2108 832 lysoPE 20:4; [M+H]+@1.32 2720 7841 4314 7104 8113 4785 lysoPE 22:6; [M+H]+@1.25 1306 848 349 1537 406 740 4063 294 826 1023 lysoPE 24:0; [M+H]+@5.30 914 1260 9790 1662 5441 977 8610 31 plasmenyl-PC 18:0; [M+Na]+@1.84 3477 74064 3521 4682 11949 1398 7512 plasmenyl-PC 20:0; [M+Na]+@2.60 242 3454 1888 423 66 721 360 1561 3850 plasmenyl-PC 32:0; [M+Na]+@6.98 3039 23472 11531 16949 292 502 5968 6924 6633 plasmenyl-PC 34:1; [M+Na]+@7.09 835 30041 17237 11244 1302 880 18190 4169 4978 plasmenyl-PC 36:3; [M+Na]+@6.68 3981 73842 28765 52645 4487 2651 124068 4845 82913 16628 plasmenyl-PC 36:4; [M+Na]+@6.61 3407 39132 3871 26697 1022 797 2453 2542 8098 plasmenyl-PC 38:4; [M+Na]+@6.78 455 27506 4690 47635 204 750 7430 71 8265 18690 plasmenyl-PC 44:4; [M+Na]+@8.37 125 17416 533 5238 105 41 2602 31 419 1739 plasmenyl-PE 34:1; [M+H]+@7.19 853 4670 14254 5968 3509 2914 209875 7100 142522 8213 plasmenyl-PE 34:2; [M+H]+@6.78 879 2744 3535 1884 642 701 26766 2544 20054 3984 plasmenyl-PE 36:1; [M+H]+@7.75 1038 3276 8817 4302 1458 1717 56539 3900 35902 1858 plasmenyl-PE 36:2; [M+H]+@7.38 2281 4683 10149 4955 3972 2765 39420 2615 60415 5180 plasmenyl-PE 36:3; [M+H]+@7.03 1326 4548 3668 3578 2680 2702 24293 3255 28357 4186 plasmenyl-PE 36:4; [M+H]+@6.74 8068 20851 9630 16432 7493 4343 41973 8975 38964 23994 plasmenyl-PE 38:1; [M+H]+@8.26 238 385 152 287 403 3833 434 5304 812 plasmenyl-PE 38:2; [M+H]+@7.94 11 662 1059 395 147 310 3885 858 1776 180 plasmenyl-PE 38:3; [M+H]+@7.60 6034 1685 6393 8164 2676 5285 20670 6795 34052 5470 plasmenyl-PE 38:4; [M+H]+@7.32 6577 24292 49228 35210 10920 63590 49903 3756 70668 41967 plasmenyl-PE 38:5; [M+H]+@7.03 1720 26497 7780 20318 3341 6236 19013 3158 30138 11157 plasmenyl-PE 38:6; [M+H]+@6.65 4622 9781 5150 6318 2056 1536 14378 3554 29306 4388 plasmenyl-PE 40:4; [M+H]+@7.72 2524 11981 9394 1148 1041 1679 6519 212 4587 3710 plasmenyl-PE 40:5; [M+H]+@7.35 1334 8403 7530 3375 389 1199 9985 182 12016 2223 plasmenyl-PE 40:6; [M+H]+@7.24 2650 9355 5539 3625 1392 7757 17459 1319 25302 3050 plasmenyl-PE 42:6; [M+H]+@7.79 326 394 154 427 6 155 1760 138 748 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type CE(16:0); [M+NH4]+@11.01 642.6189 11.01 246520 LMST01020005 LipidMaps CE(16:1); [M+NH4]+@10.73 640.6032 10.73 CE(16:1) LipidMaps Bulk ID CE(18:1); [M+NH4]+@10.98 668.6345 10.98 5283632 LMST01020003 LipidMaps CE(18:2); [M+NH4]+@10.76 666.6189 10.76 5287939 LMST01020008 LipidMaps CE(18:3); [M+NH4]+@10.58 664.6032 10.58 6436907 LMST01020009 LipidMaps CE(20:3); [M+NH4]+@10.82 692.6345 10.82 14274976 LMST01020013 LipidMaps CE(20:4); [M+NH4]+@10.64 690.6189 10.64 6479222 LMST01020014 LipidMaps CE(20:5); [M+NH4]+@10.47 688.6032 10.47 10372299 LMST01020015 LipidMaps CE(22:6); [M+NH4]+@10.58 714.6189 10.58 14274978 LMST01020019 LipidMaps DG 30:0; [M+NH4]+@7.44 558.5094 7.44 DG(30:0) LipidMaps Bulk ID DG 32:0; [M+NH4]+@7.99 586.5407 7.99 DG(32:0) LipidMaps Bulk ID DG 32:1; [M+NH4]+@7.54 584.5251 7.54 DG(32:1) LipidMaps Bulk ID DG 32:2; [M+NH4]+@7.10 582.5094 7.1 DG(32:2) LipidMaps Bulk ID DG 34:1; [M+NH4]+@8.06 612.5564 8.06 DG(34:1) LipidMaps Bulk ID DG 34:2; [M+NH4]+@7.66 610.5407 7.66 DG(34:2) LipidMaps Bulk ID DG 34:3; [M+NH4]+@7.23 608.5251 7.23 DG(34:3) LipidMaps Bulk ID DG 36:0; [M+NH4]+@8.94 642.6033 8.94 DG(36:0) LipidMaps Bulk ID DG 36:1; [M+NH4]+@8.55 640.5877 8.55 DG(36:1) LipidMaps Bulk ID DG 36:2; [M+NH4]+@8.15 638.572 8.15 DG(36:2) LipidMaps Bulk ID DG 36:3; [M+NH4]+@7.74 636.5564 7.74 DG(36:3) LipidMaps Bulk ID DG 36:4; [M+NH4]+@7.67 634.5407 7.67 DG(36:4) LipidMaps Bulk ID DG 36:5; [M+NH4]+@7.04 632.5251 7.04 DG(36:5) LipidMaps Bulk ID DG 38:3; [M+NH4]+@8.34 664.5877 8.34 DG(38:3) LipidMaps Bulk ID DG 38:4; [M+NH4]+@8.14 662.572 8.14 DG(38:4) LipidMaps Bulk ID DG 38:5; [M+NH4]+@7.66 660.5564 7.66 DG(38:5) LipidMaps Bulk ID DG 38:6; [M+NH4]+@7.33 658.5407 7.33 DG(38:6) LipidMaps Bulk ID DG 40:5; [M+NH4]+@8.12 688.5877 8.12 DG(40:5) LipidMaps Bulk ID DG 40:7; [M+NH4]+@7.63 684.5564 7.63 DG(40:7) LipidMaps Bulk ID IS CE 17:0; [M+NH4]+ 656.634 11.1 24779605 LMST01020026 LipidMaps IS Ceramide;[M-H20]+ 534.524 7.16 LMSP02010000 LipidMaps IS D31-TAG 918.3543 10.47 IS DG 34:1; [M+NH4]+ 612.5561 8.02 DG(34:1) LipidMaps Bulk ID IS MG 17:0; [M+NH4]+ 362.3265 3.16 107036 LMGL01010002 LipidMaps IS PC 34:0; [M+H]+ 762.6007 7.2 PC(34:0) LipidMaps Bulk ID IS PE 34:0; [M+H]+ 720.5538 7.3 PE(34:0) LipidMaps Bulk ID IS PS 34:0;[M+H]+ 764.5436 6.36 PS(34:0) LipidMaps Bulk ID IS SM 35:1;[M+H]+ 717.5905 5.8 SM 35:1 LipidBLAST IS TG 51:0; [M+NH4]+ 866.8171 10.9 TG(51:0) LipidMaps Bulk ID IS d5-DAG 675.6663 9.29 IS lysoPC 17:0;[M+H]+ 510.356 2.02 24779463 LMGP01050024 LipidMaps MG 17:0; [M+Li]+@3.21 351.3087 3.21 107036 LMGL01010002 LipidMaps PC 28:0; [M+Na]+@5.28 700.4893 5.28 PC(28:0) LipidMaps Bulk ID PC 30:0; [M+Na]+@6.02 728.5206 6.02 PC(30:0) LipidMaps Bulk ID PC 30:1; [M+Na]+@5.49 726.505 5.49 PC(30:1) LipidMaps Bulk ID PC 30:3; [M+H]+@5.32 700.4917 5.32 PC(30:3) LipidMaps Bulk ID PC 32:0; [M+Na]+@6.67 756.5519 6.67 PC(32:0) LipidMaps Bulk ID PC 32:1; [M+Na]+@6.13 754.5363 6.13 PC(32:1) LipidMaps Bulk ID PC 32:2; [M+Na]+@5.66 752.5206 5.66 PC(32:2) LipidMaps Bulk ID PC 33:2; [M+Na]+@6.05 766.5363 6.05 PC(33:2) LipidMaps Bulk ID PC 34:1; [M+Na]+@6.77 782.5676 6.77 PC(34:1) LipidMaps Bulk ID PC 34:2; [M+Na]+@6.36 780.5519 6.36 PC(34:2) LipidMaps Bulk ID PC 34:3; [M+Na]+@5.79 778.5363 5.79 PC(34:3) LipidMaps Bulk ID PC 34:4; [M+Na]+@5.54 776.5206 5.54 PC(34:4) LipidMaps Bulk ID PC 35:3; [M+Na]+@6.13 792.5519 6.13 PC(35:3) LipidMaps Bulk ID PC 36:0; [M+Na]+@7.79 812.6145 7.79 PC(36:0) LipidMaps Bulk ID PC 36:1; [M+Na]+@7.37 810.5989 7.37 PC(36:1) LipidMaps Bulk ID PC 36:2; [M+Na]+@6.98 808.5832 6.98 PC(36:2) LipidMaps Bulk ID PC 36:3; [M+H]+@7.25 784.5856 7.25 PC(36:3) LipidMaps Bulk ID PC 36:3; [M+Na]+@6.49 806.5676 6.49 PC(36:3) LipidMaps Bulk ID PC 36:4; [M+H]+@4.43 782.57 8.59 PC(36:4) LipidMaps Bulk ID PC 36:4; [M+H]+@8.59 782.57 8.59 PC(36:4) LipidMaps Bulk ID PC 36:4; [M+Na]+@6.11 804.5519 6.11 PC(36:4) LipidMaps Bulk ID PC 36:5; [M+H]+@4.42 780.5543 4.42 PC(36:5) LipidMaps Bulk ID PC 36:5; [M+Na]+@5.55 802.5363 5.55 PC(36:5) LipidMaps Bulk ID PC 36:6; [M+Na]+@5.51 800.5206 5.51 PC(36:6) LipidMaps Bulk ID PC 36:7; [M+H]+@5.38 776.523 5.38 PC(36:7) LipidMaps Bulk ID PC 38:4; [M+Na]+@6.88 832.5832 6.88 PC(38:4) LipidMaps Bulk ID PC 38:5; [M+H]+@5.15 808.5856 5.15 PC(38:5) LipidMaps Bulk ID PC 38:6; [M+H]+@5.15 806.57 5.15 PC(38:6) LipidMaps Bulk ID PC 38:6; [M+Na]+@6.17 828.5519 6.17 PC(38:6) LipidMaps Bulk ID PC 38:7; [M+Na]+@5.60 826.5363 5.6 PC(38:7) LipidMaps Bulk ID PC 40:10; [M+H]+@5.56 826.5387 5.56 PC(40:10) LipidMaps Bulk ID PC 40:5; [M+Na]+@7.20 858.5989 7.2 PC(40:5) LipidMaps Bulk ID PC 40:6; [M+Na]+@6.82 856.5832 6.82 PC(40:6) LipidMaps Bulk ID PC 40:7; [M+H]+@5.30 832.5856 5.3 PC(40:7) LipidMaps Bulk ID PC 40:8; [M+Na]+@5.81 852.5519 5.81 PC(40:8) LipidMaps Bulk ID PC 40:9; [M+H]+@5.95 828.5543 5.95 PC(40:9) LipidMaps Bulk ID PC 42:10; [M+Na]+@5.76 876.5519 5.76 PC(42:10) LipidMaps Bulk ID PC 42:5; [M+H]+@8.11 864.6482 8.11 PC(42:5) LipidMaps Bulk ID PC 42:9; [M+H]+@6.83 856.5856 6.83 PC(42:9) LipidMaps Bulk ID PC 44:4; [M+H]+@8.54 894.6952 8.54 PC(44:4) LipidMaps Bulk ID PE 32:0; [M+H]+@6.80 692.523 6.8 PE(32:0) LipidMaps Bulk ID PE 33:0; [M+H]+@7.12 706.5387 7.12 PE(33:0) LipidMaps Bulk ID PE 34:1; [M+H]+@6.89 718.5387 6.89 PE(34:1) LipidMaps Bulk ID PE 34:2; [M+H]+@6.43 716.523 6.43 PE(34:2) LipidMaps Bulk ID PE 35:1; [M+H]+@7.11 732.5543 7.11 PE(35:1) LipidMaps Bulk ID PE 36:0; [M+H]+@7.90 748.5856 7.9 PE(36:0) LipidMaps Bulk ID PE 36:1; [M+H]+@7.47 746.57 7.47 PE(36:1) LipidMaps Bulk ID PE 36:2; [M+H]+@7.02 744.5543 7.02 PE(36:2) LipidMaps Bulk ID PE 36:4; [M+H]+@6.47 740.523 6.47 PE(36:4) LipidMaps Bulk ID PE 36:5; [M+H]+@6.05 738.5074 6.05 PE(36:5) LipidMaps Bulk ID PE 38:4; [M+H]+@7.06 768.5543 7.06 PE(38:4) LipidMaps Bulk ID PE 40:5; [M+H]+@7.11 794.57 7.11 PE(40:5) LipidMaps Bulk ID PE 40:6; [M+H]+@6.95 792.5543 6.95 PE(40:6) LipidMaps Bulk ID PS 36:1; [M+Na]+@6.73 812.5418 6.73 PS(36:1) LipidMaps Bulk ID SM 30:1; [M+Na]+@4.42 669.4948 4.42 SM 30:1 LipidBLAST SM 30:1; [M]+@4.44 647.5128 4.44 SM 30:1 LipidBLAST SM 32:0; [M+Na]+@5.44 699.5417 5.44 44260138 SM 32:0; [M]+@5.50 677.5597 5.5 44260138 SM 32:1; [M+Na]+@5.17 697.5261 5.17 11433862 SM 32:2; [M+Na]+@4.51 695.5104 4.51 SM 32:2 LipidBLAST SM 32:2; [M]+@4.60 673.5284 4.6 SM 32:2 LipidBLAST SM 33:1; [M+Na]+@5.53 711.5417 5.53 52931139 SM 33:1; [M]+@5.70 689.5597 5.7 52931139 SM 34:0; [M+Na]+@6.17 727.573 6.17 9939965 SM 34:0; [M]+@6.13 705.5911 6.13 9939965 SM 34:1; [M+Na]+@5.87 725.5573 5.87 SM 34:1 LipidBLAST SM 34:1; [M]+@5.84 703.5754 5.84 SM 34:1 LipidBLAST SM 34:2; [M+Na]+@5.34 723.5417 5.34 SM 34:2 LipidBLAST SM 35:2; [M+Na]+@5.73 737.5573 5.73 SM 35:2 LipidBLAST SM 36:0; [M]+@6.85 733.6224 6.85 52931167 SM 36:1; [M+Na]+@6.61 753.5886 6.61 44260139 SM 36:2; [M+Na]+@6.10 751.573 6.1 SM 36:2 LipidBLAST SM 37:1; [M]+@6.90 745.6224 6.9 SM 37:1 LipidBLAST SM 38:1; [M+Na]+@7.22 781.6199 7.22 SM 38:1 LipidBLAST SM 38:2; [M+Na]+@6.76 779.6043 6.76 SM 38:2 LipidBLAST SM 38:2; [M]+@6.77 757.6224 6.77 SM 38:2 LipidBLAST SM 38:4; [M]+@5.74 753.5911 5.74 SM 38:4 LipidBLAST SM 39:1; [M+Na]+@7.54 795.6356 7.54 SM 39:1 LipidBLAST SM 39:2; [M]+@7.07 771.638 7.07 SM 39:2 LipidBLAST SM 40:0; [M+Na]+@7.96 811.6669 7.96 44260132 SM 40:1; [M+Na]+@7.76 809.6513 7.76 SM 40:1 LipidBLAST SM 40:2; [M+Na]+@7.31 807.6356 7.31 SM 40:2 LipidBLAST SM 40:2; [M]+@7.24 785.6536 7.24 SM 40:2 LipidBLAST SM 40:4; [M]+@6.36 781.6224 6.36 SM 40:4 LipidBLAST SM 41:1; [M+Na]+@8.02 823.6669 8.02 SM 41:1 LipidBLAST SM 41:1; [M]+@8.06 801.6849 8.06 SM 41:1 LipidBLAST SM 41:2; [M+Na]+@7.60 821.6513 7.6 SM 41:2 LipidBLAST SM 42:0; [M+Na]+@8.48 839.6982 8.48 44260134 SM 42:0; [M]+@8.48 817.7163 8.48 44260134 SM 42:1; [M+Na]+@8.27 837.6826 8.27 44260133 SM 42:2; [M+Na]+@7.78 835.6669 7.78 SM 42:2 LipidBLAST SM 42:2; [M]+@7.69 813.6849 7.69 SM 42:2 LipidBLAST SM 42:4; [M+Na]+@6.95 831.6356 6.95 SM 42:4 LipidBLAST SM 42:4; [M]+@7.05 809.6536 7.05 SM 42:4 LipidBLAST SM 42:5; [M]+@6.54 807.638 6.54 SM 42:5 LipidBLAST SM 43:0; [M]+@8.68 831.7319 8.68 SM 43:0 LipidBLAST SM 43:1; [M+Na]+@8.45 851.6982 8.45 SM 43:1 LipidBLAST SM 43:1; [M]+@8.49 829.7163 8.49 SM 43:1 LipidBLAST SM 43:2; [M+Na]+@8.01 849.6826 8.01 SM 43:2 LipidBLAST SM 43:2; [M]+@8.12 827.7006 8.12 SM 43:2 LipidBLAST SM 44:1; [M+Na]+@8.73 865.7138 8.73 SM 44:1 LipidBLAST SM 44:1; [M]+@8.56 843.7319 8.56 SM 44:1 LipidBLAST SM 44:2; [M+Na]+@8.27 863.6982 8.27 SM 44:2 LipidBLAST SM 44:2; [M]+@8.27 841.7163 8.27 SM 44:2 LipidBLAST SM 45:1; [M]+@8.98 857.7476 8.98 SM 45:1 LipidBLAST TG 40:0; [M+NH4]+@9.51 712.6451 9.51 TG(40:0) LipidMaps Bulk ID TG 40:0; [M+Na]+@9.54 717.6005 9.54 TG(40:0) LipidMaps Bulk ID TG 40:1; [M+NH4]+@9.21 710.6295 9.21 TG(40:1) LipidMaps Bulk ID TG 42:0; [M+NH4]+@9.80 740.6764 9.8 TG(42:0) LipidMaps Bulk ID TG 42:0; [M+Na]+@9.83 745.6318 9.83 TG(42:0) LipidMaps Bulk ID TG 42:1; [M+NH4]+@9.55 738.6608 9.55 TG(42:1) LipidMaps Bulk ID TG 44:1; [M+NH4]+@9.85 766.6921 9.85 TG(44:1) LipidMaps Bulk ID TG 44:2; [M+NH4]+@9.59 764.6764 9.59 TG(44:2) LipidMaps Bulk ID TG 46:0; [M+NH4]+@10.39 796.739 10.39 TG(46:0) LipidMaps Bulk ID TG 46:0; [M+Na]+@10.18 801.6944 10.18 TG(46:0) LipidMaps Bulk ID TG 46:1; [M+NH4]+@10.13 794.7233 10.13 TG(46:1) LipidMaps Bulk ID TG 46:2; [M+NH4]+@9.89 792.7077 9.89 TG(46:2) LipidMaps Bulk ID TG 46:3; [M+NH4]+@9.68 790.6921 9.68 TG(46:3) LipidMaps Bulk ID TG 48:0; [M+NH4]+@10.62 824.7702 10.62 TG(48:0) LipidMaps Bulk ID TG 48:1; [M+NH4]+@10.37 822.7546 10.37 TG(48:1) LipidMaps Bulk ID TG 48:1; [M+Na]+@9.05 827.71 9.05 TG(48:1) LipidMaps Bulk ID TG 48:2; [M+NH4]+@10.17 820.739 10.17 TG(48:2) LipidMaps Bulk ID TG 48:3; [M+NH4]+@9.94 818.7233 9.94 TG(48:3) LipidMaps Bulk ID TG 49:0; [M+NH4]+@10.74 838.7859 10.74 TG(49:0) LipidMaps Bulk ID TG 49:1; [M+NH4]+@10.53 836.7702 10.53 TG(49:1) LipidMaps Bulk ID TG 49:2; [M+NH4]+@10.31 834.7546 10.31 TG(49:2) LipidMaps Bulk ID TG 49:3; [M+NH4]+@10.09 832.739 10.09 TG(49:3) LipidMaps Bulk ID TG 50:0; [M+NH4]+@10.86 852.8015 10.86 TG(50:0) LipidMaps Bulk ID TG 50:0; [M+Na]+@10.87 857.7569 10.87 TG(50:0) LipidMaps Bulk ID TG 50:1; [M+NH4]+@10.63 850.7859 10.63 TG(50:1) LipidMaps Bulk ID TG 50:1; [M+Na]+@9.35 855.7413 9.35 TG(50:1) LipidMaps Bulk ID TG 50:2; [M+NH4]+@10.43 848.7702 10.43 TG(50:2) LipidMaps Bulk ID TG 50:2; [M+Na]+@10.44 853.7257 10.44 TG(50:2) LipidMaps Bulk ID TG 50:3; [M+NH4]+@10.21 846.7546 10.21 TG(50:3) LipidMaps Bulk ID TG 50:3; [M+Na]+@8.87 851.71 8.87 TG(50:3) LipidMaps Bulk ID TG 50:4; [M+NH4]+@10.02 844.739 10.02 TG(50:4) LipidMaps Bulk ID TG 50:5; [M+NH4]+@9.81 842.7233 9.81 TG(50:5) LipidMaps Bulk ID TG 51:1; [M+NH4]+@10.77 864.8015 10.77 TG(51:1) LipidMaps Bulk ID TG 51:1; [M+Na]+@10.77 869.7569 10.77 TG(51:1) LipidMaps Bulk ID TG 51:2; [M+NH4]+@10.56 862.7859 10.56 TG(51:2) LipidMaps Bulk ID TG 51:3; [M+NH4]+@10.37 860.7702 10.37 TG(51:3) LipidMaps Bulk ID TG 51:4; [M+NH4]+@10.18 858.7546 10.18 TG(51:4) LipidMaps Bulk ID TG 52:0; [M+NH4]+@11.09 880.8328 11.09 TG(52:0) LipidMaps Bulk ID TG 52:0; [M+Na]+@11.12 885.7882 11.12 TG(52:0) LipidMaps Bulk ID TG 52:1; [M+NH4]+@10.85 878.8172 10.85 TG(52:1) LipidMaps Bulk ID TG 52:1; [M+Na]+@10.53 883.7726 10.53 TG(52:1) LipidMaps Bulk ID TG 52:2; [M+NH4]+@10.65 876.8015 10.65 TG(52:2) LipidMaps Bulk ID TG 52:3; [M+NH4]+@10.45 874.7859 10.45 TG(52:3) LipidMaps Bulk ID TG 52:3; [M+Na]+@10.43 879.7413 10.43 TG(52:3) LipidMaps Bulk ID TG 52:4; [M+NH4]+@10.26 872.7702 10.26 TG(52:4) LipidMaps Bulk ID TG 52:5; [M+NH4]+@10.11 870.7546 10.11 TG(52:5) LipidMaps Bulk ID TG 52:5; [M+Na]+@10.07 875.71 10.07 TG(52:5) LipidMaps Bulk ID TG 52:6; [M+Na]+@9.85 873.6944 9.85 TG(52:6) LipidMaps Bulk ID TG 53:0; [M+NH4]+@11.20 894.8484 11.2 TG(53:0) LipidMaps Bulk ID TG 53:1; [M+NH4]+@10.98 892.8328 10.98 TG(53:1) LipidMaps Bulk ID TG 53:2; [M+NH4]+@10.81 890.8172 10.81 TG(53:2) LipidMaps Bulk ID TG 53:3; [M+NH4]+@10.61 888.8015 10.61 TG(53:3) LipidMaps Bulk ID TG 53:4; [M+NH4]+@10.41 886.7859 10.41 TG(53:4) LipidMaps Bulk ID TG 53:5; [M+NH4]+@10.22 884.7702 10.22 TG(53:5) LipidMaps Bulk ID TG 54:0; [M+NH4]+@11.34 908.8641 11.34 TG(54:0) LipidMaps Bulk ID TG 54:1; [M+NH4]+@11.12 906.8484 11.12 TG(54:1) LipidMaps Bulk ID TG 54:2; [M+NH4]+@10.90 904.8328 10.9 TG(54:2) LipidMaps Bulk ID TG 54:3; [M+NH4]+@10.69 902.8172 10.69 TG(54:3) LipidMaps Bulk ID TG 54:4; [M+NH4]+@10.50 900.8015 10.5 TG(54:4) LipidMaps Bulk ID TG 54:5; [M+NH4]+@10.30 898.7859 10.3 TG(54:5) LipidMaps Bulk ID TG 54:6; [M+NH4]+@10.12 896.7702 10.12 TG(54:6) LipidMaps Bulk ID TG 54:6; [M+Na]+@10.13 901.7257 10.13 TG(54:6) LipidMaps Bulk ID TG 54:7; [M+NH4]+@9.90 894.7546 9.9 TG(54:7) LipidMaps Bulk ID TG 54:8; [M+NH4]+@9.77 892.739 9.77 TG(54:8) LipidMaps Bulk ID TG 55:3; [M+NH4]+@10.83 916.8328 10.83 TG(55:3) LipidMaps Bulk ID TG 55:7; [M+NH4]+@10.13 908.7702 10.13 TG(55:7) LipidMaps Bulk ID TG 56:0; [M+NH4]+@11.61 936.8954 11.61 TG(56:0) LipidMaps Bulk ID TG 56:1; [M+NH4]+@11.36 934.8797 11.36 TG(56:1) LipidMaps Bulk ID TG 56:2; [M+NH4]+@11.14 932.8641 11.14 TG(56:2) LipidMaps Bulk ID TG 56:3; [M+NH4]+@10.93 930.8484 10.93 TG(56:3) LipidMaps Bulk ID TG 56:4; [M+NH4]+@10.77 928.8328 10.77 TG(56:4) LipidMaps Bulk ID TG 56:5; [M+NH4]+@10.62 926.8172 10.62 TG(56:5) LipidMaps Bulk ID TG 56:5; [M+Na]+@10.60 931.7726 10.6 TG(56:5) LipidMaps Bulk ID TG 56:6; [M+NH4]+@10.43 924.8015 10.43 TG(56:6) LipidMaps Bulk ID TG 56:7; [M+NH4]+@10.30 922.7859 10.3 TG(56:7) LipidMaps Bulk ID TG 56:8; [M+NH4]+@10.09 920.7702 10.09 TG(56:8) LipidMaps Bulk ID TG 58:1; [M+NH4]+@11.63 962.911 11.63 TG(58:1) LipidMaps Bulk ID TG 58:10; [M+NH4]+@10.00 944.7702 10 TG(58:10) LipidMaps Bulk ID TG 58:11; [M+NH4]+@9.84 942.7546 9.84 TG(58:11) LipidMaps Bulk ID TG 58:12; [M+NH4]+@9.69 940.739 9.69 TG(58:12) LipidMaps Bulk ID TG 58:2; [M+NH4]+@11.40 960.8954 11.4 TG(58:2) LipidMaps Bulk ID TG 58:3; [M+NH4]+@11.19 958.8797 11.19 TG(58:3) LipidMaps Bulk ID TG 58:4; [M+NH4]+@10.98 956.8641 10.98 TG(58:4) LipidMaps Bulk ID TG 58:5; [M+NH4]+@10.85 954.8484 10.85 TG(58:5) LipidMaps Bulk ID TG 58:6; [M+NH4]+@10.65 952.8328 10.65 TG(58:6) LipidMaps Bulk ID TG 58:8; [M+NH4]+@10.30 948.8015 10.3 TG(58:8) LipidMaps Bulk ID TG 58:9; [M+NH4]+@10.22 946.7859 10.22 TG(58:9) LipidMaps Bulk ID TG 60:10; [M+NH4]+@10.25 972.8015 10.25 TG(60:10) LipidMaps Bulk ID TG 60:11; [M+NH4]+@10.08 970.7859 10.08 TG(60:11) LipidMaps Bulk ID TG 60:12; [M+NH4]+@9.94 968.7702 9.94 TG(60:12) LipidMaps Bulk ID TG 60:12; [M+Na]+@9.95 973.7257 9.95 TG(60:12) LipidMaps Bulk ID TG 60:9; [M+NH4]+@10.41 974.8172 10.41 TG(60:9) LipidMaps Bulk ID lysoPC 14:0; [M+Na]+@1.14 490.291 1.14 LPC(14:0) LipidMaps Bulk ID lysoPC 15:0; [M+Na]+@1.29 504.3066 1.29 24779458 LMGP01050016 LipidMaps lysoPC 16:0; [M+H]+@1.63 496.3403 1.63 LPC(16:0) LipidMaps Bulk ID lysoPC 16:0; [M+Na]+@1.70 504.343 1.7 LPC(16:0) LipidMaps Bulk ID lysoPC 18:0; [M+H]+@2.39 524.3716 2.39 LPC(18:0) LipidMaps Bulk ID lysoPC 18:0; [M+Na]+@2.95 532.3743 2.95 LPC(18:0) LipidMaps Bulk ID lysoPC 18:1; [M+H]+@1.77 522.356 1.77 LPC(18:1) LipidMaps Bulk ID lysoPC 18:1; [M+Na]+@1.90 544.3379 1.9 LPC(18:1) LipidMaps Bulk ID lysoPC 18:2; [M+H]+@1.39 520.3403 1.39 LPC(18:2) LipidMaps Bulk ID lysoPC 18:2; [M+Na]+@1.17 542.3223 1.17 LPC(18:2) LipidMaps Bulk ID lysoPC 18:3; [M+Na]+@1.14 540.3066 1.14 LPC(18:3) LipidMaps Bulk ID lysoPC 19:0; [M+H]+@2.93 538.3873 2.93 24779472 LMGP01050041 LipidMaps lysoPC 19:0; [M+Na]+@2.93 560.3692 2.93 24779472 LMGP01050041 LipidMaps lysoPC 20:0; [M+Na]+@3.40 574.3848 3.4 24779473 LMGP01050045 LipidMaps lysoPC 22:4; [M+Na]+@1.87 594.3535 1.87 52924039 LMGP01050124 LipidMaps lysoPC 22:5; [M+Na]+@1.52 592.3379 1.52 LPC(22:5) LipidMaps Bulk ID lysoPC 23:0; [M+H]+@4.77 594.4498 4.77 lysoPC 23:0 LipidBLAST lysoPC 24:0; [M+H]+@5.19 608.4655 5.19 24779481 LMGP01050057 LipidMaps lysoPC 24:1; [M+H]+@4.33 606.4498 4.33 53480477 LMGP01050144 LipidMaps lysoPE 16:0; [M+H]+@1.72 454.2934 1.72 LPE(16:0) LipidMaps Bulk ID lysoPE 17:0; [M+H]+@7.34 468.309 7.34 52925149 LMGP02050030 LipidMaps lysoPE 18:0; [M+H]+@2.57 482.3246 2.57 LPE(18:0) LipidMaps Bulk ID lysoPE 18:0; [M+Na]+@2.79 488.3117 2.79 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M+H]+@1.85 480.309 1.85 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M+H]+@1.49 478.2934 1.49 LPE(18:2) LipidMaps Bulk ID lysoPE 20:3; [M+H]+@1.68 504.309 1.68 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M+H]+@1.32 502.2934 1.32 LPE(20:4) LipidMaps Bulk ID lysoPE 22:6; [M+H]+@1.25 526.2933 1.25 LPE(22:6) LipidMaps Bulk ID lysoPE 24:0; [M+H]+@5.30 566.4186 5.3 LPE(24:0) LipidMaps Bulk ID plasmenyl-PC 18:0; [M+Na]+@1.84 544.3379 1.84 PC(P-18:0) LipidMaps Bulk ID plasmenyl-PC 20:0; [M+Na]+@2.60 572.3692 2.6 PC(P-20:0) LipidMaps Bulk ID plasmenyl-PC 32:0; [M+Na]+@6.98 740.557 6.98 PC(P-32:0) LipidMaps Bulk ID plasmenyl-PC 34:1; [M+Na]+@7.09 766.5727 7.09 PC(P-34:1) LipidMaps Bulk ID plasmenyl-PC 36:3; [M+Na]+@6.68 790.5727 6.68 PC(P-36:3) LipidMaps Bulk ID plasmenyl-PC 36:4; [M+Na]+@6.61 788.557 6.61 PC(P-36:4) LipidMaps Bulk ID plasmenyl-PC 38:4; [M+Na]+@6.78 816.5883 6.78 PC(P-38:4) LipidMaps Bulk ID plasmenyl-PC 44:4; [M+Na]+@8.37 900.6822 8.37 plasmenyl-PC 44:4 LipidBLAST plasmenyl-PE 34:1; [M+H]+@7.19 702.5438 7.19 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M+H]+@6.78 700.5281 6.78 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 36:1; [M+H]+@7.75 730.5751 7.75 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M+H]+@7.38 728.5594 7.38 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M+H]+@7.03 726.5438 7.03 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:4; [M+H]+@6.74 724.5281 6.74 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 38:1; [M+H]+@8.26 758.6063 8.26 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M+H]+@7.94 756.5907 7.94 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M+H]+@7.60 754.5751 7.6 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M+H]+@7.32 752.5594 7.32 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M+H]+@7.03 750.5438 7.03 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M+H]+@6.65 748.5281 6.65 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:4; [M+H]+@7.72 780.5907 7.72 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M+H]+@7.35 778.5751 7.35 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M+H]+@7.24 776.5594 7.24 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:6; [M+H]+@7.79 804.5907 7.79 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END