#METABOLOMICS WORKBENCH bagchipuja_20240924_222431 DATATRACK_ID:5221 STUDY_ID:ST003522 ANALYSIS_ID:AN005784 PROJECT_ID:PR002137 VERSION 1 CREATED_ON October 18, 2024, 10:44 am #PROJECT PR:PROJECT_TITLE The acid-sensing receptor GPR65 on tumor macrophages drives accelerated tumor PR:PROJECT_TITLE growth in obesity PR:PROJECT_SUMMARY Multiple cancers, including colorectal cancer (CRC), are more frequent and often PR:PROJECT_SUMMARY more aggressive in individuals with obesity. Here, we show that macrophages PR:PROJECT_SUMMARY accumulate within tumors of CRC patients with obesity and in obese CRC mice and PR:PROJECT_SUMMARY promote accelerated tumor growth. These changes were initiated by oleic acid PR:PROJECT_SUMMARY accumulation and subsequent tumor cell-derived acid production, as well as PR:PROJECT_SUMMARY driven by macrophage signaling through the acid-sensing receptor GPR65. We found PR:PROJECT_SUMMARY a similar role for GPR65 in hepatocellular carcinoma (HCC) in obese mice. Tumors PR:PROJECT_SUMMARY in obese patients with CRC or HCC also exhibited increased GPR65 expression, PR:PROJECT_SUMMARY suggesting that the mechanism revealed here may contribute to tumor growth in a PR:PROJECT_SUMMARY range of obesity-associated cancers and represent a potential therapeutic PR:PROJECT_SUMMARY target. PR:INSTITUTE Stanford University PR:LAST_NAME Engleman PR:FIRST_NAME Edgar PR:ADDRESS 3373 Hillview Avenue PR:EMAIL sbagchi@stanford.edu PR:PHONE 4086214773 #STUDY ST:STUDY_TITLE Untargeted mass spectrometry analysis of neutral lipids in MC38 tumors and ST:STUDY_TITLE visceral adipose tissues of control-diet and high fat diet-fed C57BL/6 mice ST:STUDY_SUMMARY Both tumors and the visceral adipose tissues were collected from Control Diet ST:STUDY_SUMMARY (CD) and High Fat Diet (HFD)-fed C57BL/6 (B6) mice. Mice were fed a HFD for 2 ST:STUDY_SUMMARY months. For tumor studies, MC38 tumors were subcutaneously injected after 2 ST:STUDY_SUMMARY months of feeding mice the HFD. Tumors were allowed to grow for 3 weeks, at ST:STUDY_SUMMARY which point, tumors from CD and HFD-fed mice were harvested and snap frozen. ST:STUDY_SUMMARY Visceral adipose tissues were also collected from these mice and snap frozen. ST:STUDY_SUMMARY Subsequently, samples were sent to the UC Davis Metabolomics Core for analysis ST:STUDY_SUMMARY of neutral lipids. Some triglycerides, including TG(54:3), were found to be ST:STUDY_SUMMARY significantly more abundant in the adipose tissue and tumors of HFD-fed mice ST:STUDY_SUMMARY compared to CD-fed mice. ST:INSTITUTE Stanford University ST:LAST_NAME Engleman ST:FIRST_NAME Edgar ST:ADDRESS 3373 Hillview Avenue ST:EMAIL sbagchi@stanford.edu ST:PHONE 4086214773 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CD1 Diet:CD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - CD2 Diet:CD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - CD3 Diet:CD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - CD4 Diet:CD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - CD5 Diet:CD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - HFD1 Diet:HFD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - HFD2 Diet:HFD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - HFD3 Diet:HFD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - HFD4 Diet:HFD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - HFD5 Diet:HFD | Sample source:MC38 murine colorectal tumor SUBJECT_SAMPLE_FACTORS - CD6 Diet:CD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - CD7 Diet:CD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - CD8 Diet:CD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - CD9 Diet:CD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - CD10 Diet:CD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - HFD6 Diet:HFD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - HFD7 Diet:HFD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - HFD8 Diet:HFD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - HFD9 Diet:HFD | Sample source:Visceral adipose tissue SUBJECT_SAMPLE_FACTORS - HFD10 Diet:HFD | Sample source:Visceral adipose tissue #COLLECTION CO:COLLECTION_SUMMARY MC38 tumors and visceral adipose tissues from CD and HFD-fed mice were collected CO:COLLECTION_SUMMARY 3 weeks post tumor implantation. MC38 tumors were subcutaneously injected after CO:COLLECTION_SUMMARY 2 months of feeding mice the HFD. Tumors were allowed to grow for 3 weeks, at CO:COLLECTION_SUMMARY which point, tumors from CD and HFD-fed mice were harvested and snap frozen. CO:COLLECTION_SUMMARY Visceral adipose tissues were also collected from these mice and snap frozen. CO:SAMPLE_TYPE Whole tumor, Visceral adipose tissue #TREATMENT TR:TREATMENT_SUMMARY Mice were fed either CD or HFD for two months. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Both tumors and visceral adipose tissues were isolated from the mice and SP:SAMPLEPREP_SUMMARY immediately snap frozen in liquid nitrogen. Subsequently, they were sent for SP:SAMPLEPREP_SUMMARY analysis to the UC Davis Metabolomics Core. SP:SAMPLEPREP_PROTOCOL_FILENAME Fiehn_laboratory_Lipidomics_Protocol.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0 min 15% (B), 0–2 min 30% (B), 2–2.5 min 48% (B), 2.5–11 min 82% (B), CH:FLOW_GRADIENT 11–11.5 min 99% (B), 11.5–12 min 99% (B), 12–12.1 min 15% (B), 12.1–15 CH:FLOW_GRADIENT min 15% (B) CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 65°C CH:METHODS_FILENAME Fiehn_laboratory_Lipidomics_Protocol.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Fiehn_laboratory_Lipidomics_Protocol.pdf #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The samples were loaded up on an Agilent 1290 Infinity LC stack. The positive MS:MS_COMMENTS mode was run on an Agilent 6530 with a scan range of m/z 120-1200 Da with an MS:MS_COMMENTS acquisition speed of 2 spectra/s. Positive mode has between 0.5 and 2 uL MS:MS_COMMENTS injected onto a Waters ACQUITY UPLC CSH C18 1.7um 2.1x100mm Column with VanGuard MS:MS_COMMENTS PreColumn 2.1x5 mm . The gradient used is 0 min 15% (B), 0–2 min 30% (B), MS:MS_COMMENTS 2–2.5 min 48% (B), 2.5–11 min 82% (B), 11–11.5 min 99% (B), 11.5–12 min MS:MS_COMMENTS 99% (B), 12–12.1 min 15% (B), 12.1–15 min 15% (B) with a flow rate of 0.6 MS:MS_COMMENTS mL/min. The other sample aliquot was run in negative mode, which was run on MS:MS_COMMENTS Agilent 1290 Infinity LC stack, and injected on the same column, with the same MS:MS_COMMENTS gradient. and using an Agilent 6550 QTOF mass spec. The acquisition rate was 2 MS:MS_COMMENTS spectra/s with a scan range of m/z 60-1200 Da. The mass resolution for the MS:MS_COMMENTS Agilent 6530 is 10,000 for ESI (+) and 30,000 for ESI (-) for the Agilent 6546. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative peak intensity MS_METABOLITE_DATA_START Samples CD1 CD2 CD3 CD4 CD5 HFD1 HFD2 HFD3 HFD4 HFD5 CD6 CD7 CD8 CD9 CD10 HFD6 HFD7 HFD8 HFD9 HFD10 Factors Diet:CD | Sample source:MC38 murine colorectal tumor Diet:CD | Sample source:MC38 murine colorectal tumor Diet:CD | Sample source:MC38 murine colorectal tumor Diet:CD | Sample source:MC38 murine colorectal tumor Diet:CD | Sample source:MC38 murine colorectal tumor Diet:HFD | Sample source:MC38 murine colorectal tumor Diet:HFD | Sample source:MC38 murine colorectal tumor Diet:HFD | Sample source:MC38 murine colorectal tumor Diet:HFD | Sample source:MC38 murine colorectal tumor Diet:HFD | Sample source:MC38 murine colorectal tumor Diet:CD | Sample source:Visceral adipose tissue Diet:CD | Sample source:Visceral adipose tissue Diet:CD | Sample source:Visceral adipose tissue Diet:CD | Sample source:Visceral adipose tissue Diet:CD | Sample source:Visceral adipose tissue Diet:HFD | Sample source:Visceral adipose tissue Diet:HFD | Sample source:Visceral adipose tissue Diet:HFD | Sample source:Visceral adipose tissue Diet:HFD | Sample source:Visceral adipose tissue Diet:HFD | Sample source:Visceral adipose tissue TG(53:5)A 7452 2272 233 162 621 165 137 2032 1008 849 3598 3776 3665 3774 4330 1517 1597 1563 1940 1467 TG(53:5) 2047 160 6572 296 563 74 1911 123 859 799 3403 3687 3031 3148 3832 1421 1906 1660 1770 1188 TG(60:11) 739 956 968 703 149 321 1848 1878 347 493 479 110 167 264 256 133 91 116 146 237 TG(42:2) 1041 88 1816 101 191 92 545 113.38 142 217 3055 2798 3031 2528 2040 887 824 1052 941 2631 TG(42:3) 823 128 2058 107 140.26 77.26 165 40.26 1.68 91 5334 4384 4621 4449 3696 776 581 826 629 2335 TG(44:1) 2447 375 4501 144 562 484 2768 408 1077 1232 2128 2605 2660 2546 1455 2219 1995 2344 2602 4057 TG(44:2) 1936 42.31 3931 62.31 140.31 136.31 2211 734 587 775 2894 3173 3079 2671 2142 2014 1484 2053 2375 2918 TG(46:0) 15567 2801 28626 3626 2937 3037 14723 6248 5836 4904 7598 9525 9379 8895 6274 6373 5443 7109 7702 10467 TG(46:1) 19073 1932 34037 1725 2477 2024 15828 3817 5781 6261 9815 12913 11657 11293 6271 8336 7844 9474 11955 16302 TG(46:2) 10460 652 19551 734 1849 933 9352 1103 3329 3927 8223 10529 8720 9571 6953 5923 5499 6115 8648 9304 TG(46:3)A 2782 421 5224 246 640 345 2599 273 1175 1304 2896 3771 3090 3024 2344 2540 2454 2535 3481 3234 TG(48:0) 67635 8875 110835 10202 9950 11436 62819 27484 32991 29488 37475 32763 43848 35898 26578 30856 30972 39577 44301 26935 TG(48:1) 124135 10136 298760 12013 13738 13007 165489 27046 45425 46276 69545 78521 79069 76160 45030 68256 57858 69977 89977 117315 TG(48:2) 93352 6338 220862 5462 11605 6880 79130 9307 26937 28604 65894 81498 70183 70943 54593 41620 39811 44988 59362 69386 TG(48:3) 30208 2251 61864 1776 5203 1512 22788 2110 7810 9462 20293 28155 22624 22964 17482 13757 13688 13811 18277 20490 TG(48:4)A 3987 360 9066 385 859 258 2939 202 1218 1483 4150 5357 4897 5470 4183 1938 2106 2191 2613 2812 TG(48:6) 1711 998 1319 1450 936 864 1187 1407 522 1399 38 9 22 64 23 56 27 54 0.9 0.9 TG(49:0) 579 197 1342 291 235 256 814 446 444 425 199 261 362 269 485 574 487 145 371 321 TG(49:1) 5596 575 12733 1016 916 1344 9494 2443 4033 3867 4239 4063 4483 4469 3610 4839 4576 4897 6179 6345 TG(49:2) 7038 767 17506 815 1444 876 6894 1031 2711 2675 6518 5851 6388 6378 6079 4293 4266 4094 5238 5194 TG(49:3) 3225 212 7351 184 534 103 2162 151 801 758 2169 2577 2355 2304 2242 1426 1409 1451 1806 1839 TG(50:0) 5160 3138 7290 3575 3084 3867 7610 9369 4870 3933 2186 1856 2307 2124 1841 3288 2390 3021 3353 3394 TG(50:1) 364434 31194 834765 37378 42533 81213 739833 148604 399417 396384 282255 253211 319024 281244 208581 478486 425994 484759 586913 464957 TG(50:2) 622947 34481 1451224 30851 69360 56200 916909 68449 320652 320998 649435 628097 660746 678475 539197 497811 474385 507058 656440 626412 TG(50:3)A 354904 22125 953809 15185 48128 22079 328748 21660 103664 101918 268885 337942 299568 293774 217953 172321 178563 172094 240110 234753 TG(50:4) 62449 5343 156604 3657 10984 3387 39882 2668 14832 16286 56065 70762 55938 58239 56228 24260 25977 24268 32373 30735 TG(50:5) 7373 647 17041 178 1385 246 3145 279 1208 1253 8496 10391 8152 9325 7992 2810 3250 3018 3757 3702 TG(51:1) 2114.49 391.49 4781.49 582.49 583.49 1268.49 7874.49 2140.49 3503.49 3660.49 2948 2681 2853 3210 2983 5328 4978 4976 6281 5994 TG(51:2) 11335 1330 28681 1550 2506 3567 32608 3724 13291 12772 10554 9841 10779 10140 9634 15795 15439 15224 19348 18491 TG(51:3) 15129 1569 41397 1523 3491 2169 21024 1753.5 8608 8365 16851 16412 17497 16775 17939 13593 14337 12617 16741 14185 TG(51:4) 4889 450 15164 363 1302 391 3875 191 1515 1662 6806 6469 6125 6703 7807 2777 2624 2710 3293 2853 TG(51:5) 731 93 2082 118.45 220 168 329 129 125.45 94 1315 1116 1240 1255 1257 310 365 205 410 221 TG(52:0) 4737 4845 5243 5655 5903 7217 10542 17946 5203 4699 1287 899 1028 1048 1102 2350 1740 1818 2153 1760 TG(52:1) 46583 19493 99447 28038 15492 40280 361429 96446 128705 128474 33834 26703 32332 32325 27349 80316 66171 79448 94943 85660 TG(52:2) 576382 43705 1456658 46016 88778 265878 2581702 310003 1283817 1379622 544938 469345 595643 448830 478140 1249838 1191668 1200913 1141140 1352422 TG(52:3) 1158822 84905 2993476 71851 222581 204916 2626308 150722 1157348 1218763 1637801 1586533 1683528 1698337 1559347 1504866 1519452 1468502 1843356 1599552 TG(52:4) 629034 48316 2112601 38493 126900 47405 701703 33218 219496 227291 1067385 1068586 1031499 1103374 1071541 365622 397436 362481 501275 395458 TG(52:5) 28375 3233 68986 2452 8188 2140 18245 1366 8044 6986 51085 48092 49714 51843 43946 16936 18396 17428 22532 18529 TG(52:6) 4169 294 9749 328 441 227 2228 528 820 779 3648 2736 3499 3874 3164 1516 1708 1734 1777 2251 TG(53:1) 1028 308 1786 441 175 702 3555 1679 2178 1970 757 621 508 650 854 1100 806 1119 1289 930 TG(53:2) 5419 175.36 13818 310.36 583.36 3987 28461 3621 13135 13770 5905 4879 5323 4985 5562 9357 9562 9051 10552 10051 TG(53:3) 11018 1048 31900 1451 3024 4273 36751 3268 16194 16742 15047 13369 13269 13485 15708 15875 16697 15082 18311 16270 TG(53:4) 10640 1593 32683 1314 3292 2271 21206 1581.55 8773 8588 14438 13509 13804 13902 16631 12724 14363 11830 14665 12785 TG(54:0) 1791 1803 1597 2152 2860 3017 2837 8962 2375 1534 550 486 396 512 497 481 551 461 277 415 TG(54:1) 6905 8033 10489 9708 5672 10519 31750 33488 20127 17713 3357 2514 2956 2421 2580 7702 6138 7012 7799 7045 TG(54:2) 44737 10983 112744 15105 12696 62200 626428 76233 233284 261519 45356 33066 41874 38450 39739 129746 112296 117589 136580 125845 TG(54:3) 317308 31188 1027417 32386 65798 240808 2191324 238889 1309014 1407631 373261 292284 381273 298955 379353 938112 932273 828482 879799 921682 TG(54:4) 739579 63664 2198815 60324 167994 195488 2523120 123093 1223848 1276633 1160726 1036146 1132885 1130786 1287739 1193093 1280633 1110501 1381491 1148381 TG(54:5)A 552319 52564 2077074 48934 141919 58270 813029 36648 287992 293510 1149494 1081302 1047378 1132862 1342729 398204 459628 375842 520423 380792 TG(54:5)B 25765 8773 56484 7294 4459 4887 38982 25680 12842 12971 17465 12839 19948 21152 16039 17324 16917 17659 18774 23272 TG(54:6)A 59667 9514 192148 8504 23392 4796 37977 3002 18206 17728 134905 135579 121787 134434 155024 30179 34925 30471 38982 30517 TG(54:6)B 12055 1527 28297 805 3387 1079 9387 935 4444 3586 22458 20645 21395 20751 25786 8651 10175 7430 11164 7735 TG(54:6)C 27996 5364 72927 2978 3847 2046 18294 9087 6415 6532 22342 17049 23212 24751 21607 10679 11001 11460 12723 14224 TG(54:7)A 12429 1488 38468 1056 4450 356 3863 3.45 1599 1699 34959 35155 30385 34683 36751 4651 6064 5441 6451 4781 TG(54:7)B 7593 1024 18833 608 1095 366 3103 780 802 940 5546 4223 5534 6066 4878 2085 2239 2156 2581 2968 TG(54:8) 740 235 1211 69.05 204 1.65 1.65 1.65 1.65 1.65 533 333 460.05 585 575 133.05 175 146 242.05 74.05 TG(55:1) 686 210 1167 439 377 540 1611 1352 1000 689 73 75 100 142 86 148 115 125 119 51 TG(55:2) 1165 112 2307 122 306 443 3912 433.78 2137 2050 1271 898 706 694 1018 872 724 655 813 955 TG(55:3) 3054 121 6875 187.95 796 1583 12752 949 5772 5973 3301 2886 2830 2593 3458 2864 3215 2654 3148 3199 TG(56:0) 850 1251 538 1372 1429 1441 1756 7797 1111 699 208 143 279 280 278 192 208 233 168 271 TG(56:1) 1929 3109 2700 3330 2913 3073 5252 17006 3423 2141 503 406 445 253 371 369 216 273 290 384 TG(56:10) 197 111 346.49 91 17.13 3.62 3.62 102.49 54.49 3.62 102.13 125 217 198 125 45.13 100 29.13 99 52.49 TG(56:2) 2573 1672 5553 1704 1391 2471 13999 8156 7848 7647 2551 1391 2047 1814 2162 2822 1880 2154 2439 2620 TG(56:3) 8981 1890 24003 2252 2701 8374 106265 11180 38196 38861 10920 7648 10326 8959 10935 14376 12829 13292 13599 15303 TG(56:4) 21436 2635 91211 3747 6031 11932 171293 11542 73757 81061 37419 26312 33225 29861 38588 42010 39443 36467 42238 43404 TG(56:5)A 19748 2540 76123 3047 4362 6153 85555 5555 31518 35693 34132 28102 30242 29184 35921 26236 27076 24721 29721 26944 TG(56:5)B 7347 3112 12046 2637 1043 2864 20535 11169 7411 7971 5102 3339 4962 5068 4461 5377 4618 4837 5514 6852 TG(56:5)C 5821 7197 14206 6945 2205 5551 32285 29928 9045 10323 3267 2934 3228 4126 3885 5161 4871 4977 5572 5667 TG(56:6) 15133 5903 35028 5163 3232 5064 44841 17058 15782 16162 14486 8804 14599 15140 13380 16578 16446 15856 16979 19092 TG(56:7)A 22158 5561 67143 4060 4342 2685 28632 9070 10114 10197 24673 16600 23513 25335 25755 13468 14424 13759 15231 15817 TG(56:7)B 14715 3306 33260 4146 2075 2490 31121 7746 8709 8775 22476 11252 15294 14760 16949 9222 8114 9150 8331 13914 TG(56:8)A 8965 2000 27890 980 1907 497.18 5531 1208 1875 2032 12565 9307 11624 13106 15301 3799 4096 3657 3283 3917 TG(56:8)B 11761 3588 24233 2419 1416 1383 11574 6901 3426 3384 21776 10538 14738 15336 16070 4208 4292 4377 4024 6778 TG(56:9) 1989 400 5251 265 170 6.11 6.11 6.11 41.59 107.02 3885 2173 3136 4021 3547 502 677.52 575 629 544.52 TG(57:2) 712 134 1277 157 313 356 1405 834 809 704 183 109 172 208 145 171 59 122 103 75.35 TG(58:0) 366 614 451 734 779 964 1097 4093 837 423 86 105 55 55 100 95 120 81 103 161 TG(58:1) 1454 2690 1769 2973 1954 2545 4501 18415 2367 1139 284 198 295 340 243 187 74.58 197 138 76.58 TG(58:10) 2260 1583 6050 417 409 259 2481 1469 519 753 8256 3763 4733 5161 6719 813 922 647 745 850 TG(58:2) 1645 2059 2920 2517 1695 1902 5637 12602 2789 1945 829 459 649 469 592 308 201 276 316 368 TG(58:3) 1227 732 2649 871 661 806 3425 4393 2128 1474 1287 623 836 627 1065 237 265 226 170 275 TG(58:4) 948 579 2277 616 335 421 1731 2390 1028 995 1202 658 927 787 1056 155 126 121 112.95 180 TG(58:5) 901 290 1996 401 282 269 3652 1063 1514 2073 1137 526 859 935 1115 255 515 454 594 566 TG(58:6) 2666 1402 5446 1017 535 1718 14629 6113 4916 5782 1971 1263 2055 1712 1849 2865 2372 2456 2845 3324 TG(58:8) 4327 2683 6978 1737 782 2164 17097 7201 5027 5306 8245 2901 4844 4633 5026 3726 3946 3963 3707 5684 TG(58:9) 5029 2173 12736 2232 440 447 10391 3856 2540 2939 15406 6771 8138 9624 8638 3489 2459 2896 2991 4459 TG(59:2) 76 35 213 91 56 120 334 261 264 43 153 37 48 78 49 36 34 2.59 48 50 TG(59:3) 317 74 1067 69 172 111 638 362 221 267 163 138 159 38 198 73 47 37 32 49 TG(60:1) 722 981 785 1684 1029 1637 1762 7581 1171 633 83.99 21.6 57.99 97 120 38 84.99 26.6 62.99 3.59 TG(60:2) 1014 1477 1465 1447 787 1515 3010 10240 1714 1148 159 80 98 106 227 112 114 62.93 65.72 117 TG(60:3) 1013 1086 1952 939 785 566 3292 6494 1691 1502 463 294 290 400 543 127 108 130 4.19 123 TG(60:4) 678 786 1617 551 427 333 1501 2723 583 421.5 135 74 223 147 167 48.26 77 1.76 13.5 28.5 TG(60:5) 557 143 1449 267 257 117 1201 519 327 458 438 184 381 220 213 108 84 47 43 87 TG(62:1) 324 248 234 394 409 442 342 1855 464 196 54 30 34 28 70 51 63 70 2.25 27 TG(62:2) 248 274 366 539 239 227 634 1865 516 193 49 0.46 39 5 33 31 39 45 44 49 TG(62:3) 150 393 455 432 236 290 592 2151 448 168 75 34 2.18 47 60 29 25 41 26 27 TG(64:2) 123 193 235 279 139 161 274 1545 231 0.6 0.6 0.6 34 41 22 72 0.6 0.6 7 42 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RT m/z TG(53:5)A 10.01 884.77 TG(53:5) 10.01 889.72 TG(60:11) 9.75 975.74 TG(42:2) 8.57 741.6 TG(42:3) 8.07 739.59 TG(44:1) 9.56 771.65 TG(44:2) 9.11 769.64 TG(46:0) 10.49 801.69 TG(46:1) 10.05 799.68 TG(46:2) 9.62 797.66 TG(46:3)A 9.14 795.65 TG(48:0) 10.92 829.73 TG(48:1) 10.5 843.69 TG(48:2) 10.09 841.67 TG(48:3) 9.65 839.66 TG(48:4)A 9.22 821.66 TG(48:6) 8.46 833.61 TG(49:0) 11.12 838.79 TG(49:1) 10.72 841.73 TG(49:2) 10.34 839.71 TG(49:3) 9.91 837.7 TG(50:0) 11.31 857.76 TG(50:1) 10.92 871.72 TG(50:2) 10.54 869.7 TG(50:3)A 10.14 867.68 TG(50:4) 9.73 865.67 TG(50:5) 9.34 847.68 TG(51:1) 11.12 869.76 TG(51:2) 10.74 883.71 TG(51:3) 10.37 881.7 TG(51:4) 9.97 863.71 TG(51:5) 9.6 861.69 TG(52:0) 11.68 885.79 TG(52:1) 11.32 899.75 TG(52:2) 10.94 897.75 TG(52:3) 10.58 895.72 TG(52:4) 10.19 893.7 TG(52:5) 9.84 891.69 TG(52:6) 9.55 873.7 TG(53:1) 11.5 897.79 TG(53:2) 11.14 895.77 TG(53:3) 10.78 893.76 TG(53:4) 10.39 907.72 TG(54:0) 11.9 913.82 TG(54:1) 11.67 927.77 TG(54:2) 11.33 925.76 TG(54:3) 10.96 923.75 TG(54:4) 10.62 921.74 TG(54:5)A 10.22 919.72 TG(54:5)B 10.44 919.72 TG(54:6)A 9.84 917.7 TG(54:6)B 9.93 917.7 TG(54:6)C 10.07 917.7 TG(54:7)A 9.45 915.69 TG(54:7)B 9.61 899.71 TG(54:8) 9.25 897.69 TG(55:1) 11.81 920.87 TG(55:2) 11.5 923.8 TG(55:3) 11.16 921.79 TG(56:0) 12.02 941.85 TG(56:1) 11.9 939.84 TG(56:10) 9 921.7 TG(56:2) 11.68 953.8 TG(56:3) 11.32 951.77 TG(56:4) 10.94 949.76 TG(56:5)A 10.64 931.78 TG(56:5)B 10.76 947.74 TG(56:5)C 10.87 931.78 TG(56:6) 10.42 945.74 TG(56:7)A 10.08 943.72 TG(56:7)B 10.27 927.75 TG(56:8)A 9.69 941.7 TG(56:8)B 9.89 925.73 TG(56:9) 9.33 939.69 TG(57:2) 11.84 951.84 TG(58:0) 12.1 964.93 TG(58:1) 12.01 967.87 TG(58:10) 9.5 949.73 TG(58:2) 11.91 965.85 TG(58:3) 11.71 963.84 TG(58:4) 11.35 961.82 TG(58:5) 11.03 959.8 TG(58:6) 10.77 957.79 TG(58:8) 10.3 953.76 TG(58:9) 9.91 951.76 TG(59:2) 11.97 974.91 TG(59:3) 11.84 972.89 TG(60:1) 12.09 995.89 TG(60:2) 12.02 993.89 TG(60:3) 11.91 991.87 TG(60:4) 11.76 989.85 TG(60:5) 11.39 987.84 TG(62:1) 12.15 1018.97 TG(62:2) 12.09 1016.95 TG(62:3) 12.03 1014.94 TG(64:2) 12.15 1044.99 METABOLITES_END #END