#METABOLOMICS WORKBENCH XiaoyangSu_20230830_135002 DATATRACK_ID:4269 STUDY_ID:ST002844 ANALYSIS_ID:AN004658 PROJECT_ID:PR001766 VERSION 1 CREATED_ON September 1, 2023, 7:22 am #PROJECT PR:PROJECT_TITLE Leukemia inhibitory factor suppresses hepatic de novo lipogenesis and induces PR:PROJECT_TITLE cachexia PR:PROJECT_SUMMARY We performed metabolomic analysis to measure polar and lipid metabolites in the PR:PROJECT_SUMMARY serum from TgLC and TgL mice with Tamoxifen (TAM) injection. We compared the PR:PROJECT_SUMMARY levels of lipid metabolites in the liver from TgLC and TgL mice with TAM PR:PROJECT_SUMMARY injection. The lipid metabolites levels in the liver from Balb/c mice bearing PR:PROJECT_SUMMARY C26 or C26-LIF KO tumors were also measured. Mice under both fed and fasted PR:PROJECT_SUMMARY conditions were included. To investigate whether fenofibrate can restore hepatic PR:PROJECT_SUMMARY lipid homeostasis, TgLC mice were fed with a regular chow or fenofibrate diet. PR:PROJECT_SUMMARY Lipid metabolites in liver tissues were analyzed after TAM injection. A similar PR:PROJECT_SUMMARY effect of fenofibrate on lipid metabolites was observed in C26 tumor-bearing PR:PROJECT_SUMMARY mice. PR:INSTITUTE Rutgers University PR:DEPARTMENT Department of Radiation Oncology PR:LAST_NAME Hu PR:FIRST_NAME Wenwei PR:ADDRESS 195 Little Albany St, New Brunswick, NJ 08901 PR:EMAIL wh221@cinj.rutgers.edu PR:PHONE 7322356169 #STUDY ST:STUDY_TITLE lipid annotation ST:STUDY_SUMMARY We measure lipid metabolites in the serum from TgLC and TgL mice with Tamoxifen ST:STUDY_SUMMARY (TAM) injection. ST:INSTITUTE Rutgers University ST:LAST_NAME Hu ST:FIRST_NAME Wenwei ST:ADDRESS 195 Little Albany St, New Brunswick, NJ 08901 ST:EMAIL wh221@cinj.rutgers.edu ST:PHONE 7322356169 ST:STUDY_COMMENTS study under projectID: PR001766 #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 - WT_ddMS2 Genotype:TgL RAW_FILE_NAME=WT_ddMS2.mzXML SUBJECT_SAMPLE_FACTORS - LIF_ddMS2 Genotype:TgLC RAW_FILE_NAME=LIF_ddMS2.mzXML #COLLECTION CO:COLLECTION_SUMMARY Whole blood was collected and centrifuged at 9000 rpm for 10 minutes. The CO:COLLECTION_SUMMARY supernatant is serum. Serum was then stored at -80 °C. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY TgL and TgLC mice were injected with Tamoxifen #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For lipidomic metabolites extraction, 10 μL serum were mixed with 75 μL SP:SAMPLEPREP_SUMMARY methanol and 250 μL Methyl tert-butyl ether (MTBE). After shaking for 6 minutes SP:SAMPLEPREP_SUMMARY at 4 °C, 62 μL H2O was added and followed by centrifugation for 2 minutes. SP:SAMPLEPREP_SUMMARY Supernatants were dried down for further analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Lipidomics method CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) CH:SOLVENT_A 90% water/10% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:SOLVENT_B 75% isopropanol/25% methanol; 34.2 mM acetic acid; 1 mM ammonium acetate CH:FLOW_GRADIENT 0 min, 25% B; 2 min, 25% B; 5.5 min, 65% B; 12.5 min, 100% B; 19.5 min, 100% B; CH:FLOW_GRADIENT 20.0 min, 25% B; 30 min, 25% B CH:FLOW_RATE 0.2mL/min CH:COLUMN_TEMPERATURE 55C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Positive Ionization mode with ddMS2 MS:CAPILLARY_TEMPERATURE 300 MS:ION_SOURCE_TEMPERATURE 360 MS:SPRAY_VOLTAGE 3500 MS:AUTOMATIC_GAIN_CONTROL 3000000 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion counts MS_METABOLITE_DATA_START Samples LIF_ddMS2 WT_ddMS2 Factors Genotype:TgLC Genotype:TgL CAR(16:0) 316815.66 311466.72 CAR(18:1) 437875.84 322278.28 CE_NH4(16:0) 1523014 1356487.12 CE_NH4(16:1) 3010951.25 1608326.5 CE_NH4(17:1) 553661.5 419846.34 CE_NH4(18:0) 1272229.62 324731.5 CE_NH4(18:1(d7)) 27250978 41865180 CE_NH4(18:1) 59702896 18993786 CE_NH4(18:2) 209098128 183217712 CE_NH4(18:3) 10100457 6553301.5 CE_NH4(20:1) 466769.88 167166.8 CE_NH4(20:4) 156421904 172893392 CE_NH4(20:5) 25391106 16880404 CE_NH4(22:6) 84900168 45961260 Cer(40:1;2O|18:1;2O/22:0) 912957.5 716220.81 Cer(42:1;2O|18:1;2O/24:0) 2478680 1477102.62 Cer(42:2;2O|18:1;2O/24:1) 1815037.62 965373 DG_Na(37:7) 199755856 240251728 DG_Na(42:4) 348507.75 361513.34 DG_NH4(15:0_18:1(d7)) 29342706 34207396 DG_NH4(32:0|16:0_16:0) 1610664.38 2151376.75 DG_NH4(32:1|16:0_16:1) 1536043.88 1683579.88 DG_NH4(34:0|16:0_18:0) 1299164.62 2118331 DG_NH4(34:1|16:0_18:1) 4438111.5 5311420 DG_NH4(34:2|16:0_18:2) 4493902.5 5452569.5 DG_NH4(36:0|18:0_18:0) 935608.56 1576590.62 DG_NH4(36:1|18:0_18:1) 674371.06 1007877.69 DG_NH4(36:2|18:1_18:1) 2578557 3389197 DG_NH4(36:3|18:1_18:2) 4304712 4694797 DG_NH4(36:4|18:2_18:2) 1853099.12 1914466 DG_NH4(38:6|18:2_20:4) 2410744.25 688907.25 DG_NH4(40:7|18:1_22:6) 2404934 437181.91 DG_NH4(40:8|18:2_22:6) 3209128 343864 HexCer(34:1;2O|18:1;2O/16:0) 1839597.38 917193.81 HexCer(42:1;2O|18:1;2O/24:0) 1047595.94 878979.69 HexCer(42:2;2O|18:1;2O/24:1) 1927583.38 1629389.88 LPC(14:0/0:0) 156295.5 372928 LPC(15:0/0:0) 455646.59 739871.94 LPC(16:0) 109565464 147786512 LPC(16:0/0:0) 109565464 147786512 LPC(16:1/0:0) 671865.56 1209499.62 LPC(17:0/0:0) 1691975.38 2070952.5 LPC(18:0) 118850504 87290648 LPC(18:0/0:0) 118850504 87290648 LPC(18:1(d7)) 52249984 54293696 LPC(18:1) 12401571 27160030 LPC(18:1/0:0) 12401571 27160030 LPC(18:2) 28659144 106992216 LPC(18:2/0:0) 28659144 106992216 LPC(18:3/0:0) 7282808 9050372 LPC(19:0/0:0) 623522.19 779268.94 LPC(20:0/0:0) 349748.41 350000.22 LPC(20:1/0:0) 566028 675091.06 LPC(20:2/0:0) 255470.08 536129.81 LPC(20:3/0:0) 8255572 6034877.5 LPC(20:4/0:0) 4217994.5 16718307 LPC(20:5/0:0) 1989834.5 6693405.5 LPC(22:0/0:0) 233667.14 254319.12 LPC(22:6/0:0) 4246546 10149881 LPC(24:0/0:0) 424348.22 488647.09 LPC(O-16:0) 579855.06 797292.19 LPC(O-18:1) 358016.66 313402.72 LPC_Na(16:0) 7282808 9015135 LPC_Na(18:0) 8237798.5 6006415.5 LPC_Na(18:1) 4217994.5 16718307 LPC_Na(18:2) 1989834.5 6693405.5 LPC_Na(20:4) 309746.19 956920.81 LPC_Na(22:6) 250755.05 598805.44 LPE(16:0) 2234225.75 1989744.62 LPE(18:0) 3143458.75 2645006.5 LPE(18:1(d7)) 6719987.5 7169399.5 LPE(18:1) 449281.78 755209.25 LPE(18:2) 1250486 2703024.75 LPE(20:4) 863398.31 1980206.62 LPE(22:6) 1319703.88 2813326.25 MG_NH4(16:0) 958832.19 6358772.5 MG_NH4(18:0) 2300387.75 8300133.5 MG_NH4(18:1) 376618.41 654198.06 MG_NH4(18:2) 814746.25 1281420.12 NAE(16:0) 235619.05 251091.33 NAE(16:1) 3513134 385015.03 NAE(16:2) 8341509.5 730378 NAE(16:3) 294616.59 24538.86 NAE(16:4) 364087.03 20340.15 NAE(18:0) 282461.91 294176.47 NAE(20:0) 389754.66 387135.59 NAE(20:1) 1335811.62 194655.58 NAE(20:2) 1650682.12 248493.36 NAE(22:0) 578297.31 602095.38 PC(30:0) 785815.44 1085490.5 PC(32:0) 14848043 22955000 PC(32:1) 4150922 6964016 PC(32:2) 872885.75 1783146.5 PC(33:2) 7617010.5 5769838.5 PC(34:0) 3095584 10721979 PC(34:1) 177625584 187032400 PC(34:2) 574958400 663805888 PC(34:3) 8617012 15620103 PC(35:1) 1755454.38 2737277.25 PC(35:2) 13107497 16715812 PC(36:1) 64637236 55676708 PC(36:2) 541138496 555490624 PC(36:4) 83733104 151816480 PC(37:2) 5185334 7449768.5 PC(37:4) 2731972 3877044.75 PC(38:2) 4493335.5 6216328 PC(38:4) 132878056 133524696 PC(38:5) 22814176 29270474 PC(38:6) 170707120 126113800 PC(38:7) 1827208 3242372 PC(39:6) 3041646.75 2264875 PC(40:6) 135364832 61330796 PC(40:8) 2465209 3035855.25 PC(O-34:1) 3242667.25 3952992.25 PC(O-34:2) 2034972.38 3904251.25 PC(O-34:3) 962791.94 1708797.62 PC(O-36:2) 1335806.88 2035647.38 PC(O-36:4) 4824452.5 8238436 PC(O-36:5) 2154867.75 2792608 PC(O-38:4) 1604051.62 2693054.25 PC(O-38:5) 4321523.5 6031040.5 PC(O-38:6) 4215635.5 4639539.5 PC(O-39:3) 516569.59 359166.88 PC(O-40:7) 2375316.25 2509703.5 PC_Na(34:2) 12497131 30217914 PC_Na(36:2) 25013666 29270474 PC_Na(36:4) 1827208 3242372 PC_Na(36:5) 607639.25 1366398.12 PC_Na(38:4) 8791373 7764286.5 PC_Na(38:6) 5097919.5 3545349.25 PC_Na(40:6) 2857720.75 1109877.62 PE(15:0_18:1(d7)) 6228322.5 6622388 PE(34:2|16:0_18:2) 6724844.5 1791106.62 PE(36:2|18:0_18:2) 7617010.5 5769838.5 PE(36:3) 2167775.25 1330067.25 PE(36:4) 4265820 1608238.38 PE(38:4) 11346597 5388235.5 PE(38:6) 12410892 3472455.25 PE(40:6) 5751494 2864524 PE(P-36:4|P-16:0_20:4) 974185.31 2484474 PE(P-38:6|P-16:0_22:6) 2176736.75 5093440.5 PE(P-40:4|P-20:0_20:4) 1431076.12 1452074.12 PE(P-40:6|P-18:0_22:6) 2085299.5 4323810.5 PE(P-42:6|P-20:0_22:6) 728985.69 1587240.38 PG_NH4(15:0_18:1(d7)) 14014672 16319652 PI_NH4(34:2) 1682957 2310042.75 PI_NH4(36:2) 1376918 2948414 PI_NH4(36:4) 2777663.25 3043705.75 PI_NH4(38:4) 20643858 23140006 PI_NH4(38:5) 1110681.12 838486 SM(18:1;2O/18:1(d9)) 70365224 76975928 SM(32:1;2O|17:0;2O/15:1) 873054.69 619707.06 SM(33:1;2O) 2268727.75 2149349.25 SM(34:1;2O) 97089784 42051732 SM(34:2;2O) 7651144 4441052 SM(36:1;2O) 3657295.25 5137239.5 SM(36:2;2O|18:1;2O/18:1) 1428119.62 1777429.62 SM(40:1;2O) 17046370 10844945 SM(40:2;2O) 5247085.5 3437604.75 SM(41:1;2O) 4254476 4655085.5 SM(41:2;2O) 2183228.25 2600985.25 SM(42:1;2O|18:1;2O/24:0) 16345227 8894460 SM(42:2;2O) 72851360 40148484 SM(42:3;2O) 20653260 12786387 SM_Na(34:1;2O) 6351629.5 2673712.75 SM_Na(34:2;2O) 633679.31 353799.97 SM_Na(42:1;2O) 824178.06 452734.84 SM_Na(42:2;2O) 3004798 1729431.12 ST_H-H2O(27:1;O) 269649184 201081392 ST_H-H2O(27:2;O) 1001740.31 995481.5 ST_H-H2O(28:1;O) 2761830 4977903.5 ST_H-H2O(29:1;O) 1057112.12 2572259 TG_Na(52:2|16:0_18:1_18:1) 1443835 2161339.5 TG_Na(52:3|16:0_18:1_18:2) 1713849.38 1974156 TG_Na(52:4|16:0_18:2_18:2) 842466.69 1603577.88 TG_Na(54:2|18:0_18:1_18:1) 293795.53 736785.44 TG_Na(54:3|18:1_18:1_18:1) 734798.06 1288625.75 TG_Na(54:4|18:1_18:1_18:2) 782159.56 1426977.62 TG_Na(54:5|18:1_18:2_18:2) 456305.75 1077825.12 TG_Na(54:6|18:2_18:2_18:2) 392661.91 857828.56 TG_Na(56:8|16:0_18:2_22:6) 1271725.5 758097.81 TG_NH4(44:0|13:0_15:0_16:0) 540124.19 691215.69 TG_NH4(44:1|12:0_16:0_16:1) 720279.94 1077908.12 TG_NH4(44:2|10:0_16:0_18:2) 321422.75 661398.38 TG_NH4(45:0|14:0_15:0_16:0) 570652.31 679920.69 TG_NH4(45:1|14:0_15:0_16:1) 909808.81 975146.81 TG_NH4(46:0|14:0_16:0_16:0) 975582.94 1277569.88 TG_NH4(46:1|14:0_16:0_16:1) 1732272 2413677.25 TG_NH4(46:2|14:0_14:1_18:1) 1118553.25 2048336 TG_NH4(46:3|10:0_18:1_18:2) 277063.41 809417.31 TG_NH4(47:1|15:0_16:0_16:1) 1338596.12 1533013.62 TG_NH4(47:2|15:0_15:1_17:1) 1079927 1126505.12 TG_NH4(48:0|14:0_16:0_18:0) 1656778.5 4481125.5 TG_NH4(48:1|14:0_16:0_18:1) 2787749.25 6633766.5 TG_NH4(48:2|14:0_16:0_18:2) 2556639.25 7177070.5 TG_NH4(48:3|14:0_16:1_18:2) 893087.44 2679196.75 TG_NH4(48:4|12:0_18:2_18:2) 202597 847973.81 TG_NH4(49:1|15:0_16:0_18:1) 1589203.5 1931638 TG_NH4(49:2|15:0_16:1_18:1) 2372893 2925524.25 TG_NH4(49:3|15:0_16:1_18:2) 505766.59 1072788 TG_NH4(50:0|16:0_16:0_18:0) 1469098.62 4716041.5 TG_NH4(50:1|16:0_16:0_18:1) 9976535 29990502 TG_NH4(50:2|16:0_16:1_18:1) 10909205 35747468 TG_NH4(50:3|16:0_16:1_18:2) 4633339.5 19815272 TG_NH4(50:4|14:0_18:2_18:2) 1316147.62 7597220 TG_NH4(50:5|14:0_18:2_18:3) 308434.41 1940094.12 TG_NH4(51:1|16:0_17:0_18:1) 1076658.88 1806251.62 TG_NH4(51:2|16:0_17:1_18:1) 1710843.5 3562603.25 TG_NH4(51:3|15:0_18:1_18:2) 1094265 2822559.25 TG_NH4(51:4|15:0_18:2_18:2) 425675.25 1410997.88 TG_NH4(52:0|16:0_18:0_18:0) 1146509.62 1191384.38 TG_NH4(52:1|16:0_18:0_18:1) 10075102 25060170 TG_NH4(52:2|16:0_18:1_18:1) 48937444 105658528 TG_NH4(52:3|16:0_18:1_18:2) 72047368 142162976 TG_NH4(52:4|16:0_18:2_18:2) 44550292 92221376 TG_NH4(52:5|16:0_18:2_18:3) 5835450.5 24602936 TG_NH4(52:6|16:1_18:2_18:3) 918645.75 4618301.5 TG_NH4(52:7|18:1_16:3_18:3) 361457.72 1216045.38 TG_NH4(53:1|17:0_18:0_18:1) 424209.25 795586.25 TG_NH4(53:2|16:0_18:1_19:1) 1069975.38 2656216 TG_NH4(53:3|17:0_18:1_18:2) 1752504.38 3870586.25 TG_NH4(53:4|17:1_18:1_18:2) 943698.19 2664187.25 TG_NH4(53:5|18:1_17:2_18:2) 275488.91 1132628.38 TG_NH4(54:0|16:0_18:0_20:0) 340480.84 729771.94 TG_NH4(54:1|16:0_20:0_18:1) 1318976.88 3544014.75 TG_NH4(54:2|16:0_18:1_20:1) 6293210.5 18002864 TG_NH4(54:3|18:0_18:1_18:2) 19639678 53058896 TG_NH4(54:4|18:1_18:1_18:2) 27858322 72411280 TG_NH4(54:5|18:1_18:2_18:2) 20262344 68646176 TG_NH4(54:6|16:0_18:2_20:4) 17092638 38295236 TG_NH4(54:6|18:1_18:2_18:3) 17092638 38295236 TG_NH4(54:7|18:2_18:2_18:3) 7812770.5 12723219 TG_NH4(54:8|16:1_18:2_20:5) 1392071.12 2778906.75 TG_NH4(55:1|16:0_21:0_18:1) 611751.06 2575789 TG_NH4(55:2|18:0_19:0_18:2) 692400.81 2822675.75 TG_NH4(55:3|19:0_18:1_18:2) 364744.97 1479124 TG_NH4(55:7|16:0_18:2_21:5) 621671.25 1003225.19 TG_NH4(56:1|16:0_22:0_18:1) 361389.22 595582.06 TG_NH4(56:10|18:2_18:3_20:5) 1003805.81 1524509.62 TG_NH4(56:2|18:0_18:1_20:1) 663454.56 1747819.5 TG_NH4(56:3|18:0_20:1_18:2) 1606596.88 4283152.5 TG_NH4(56:4|18:1_20:1_18:2) 2340740.25 6050620 TG_NH4(56:5|18:0_18:1_20:4) 5007746 8851849 TG_NH4(56:6|16:0_18:1_22:5) 13257275 15845708 TG_NH4(56:7|18:1_18:2_20:4) 39625828 28982634 TG_NH4(56:8|18:1_18:2_20:5) 49259136 30525530 TG_NH4(56:9|16:1_18:2_22:6) 7928478.5 7917645.5 TG_NH4(57:1|16:0_23:0_18:1) 234605.48 257073.27 TG_NH4(58:1|16:0_24:0_18:1) 222297.7 297049.12 TG_NH4(58:10|18:1_20:4_20:5) 18598114 13118503 TG_NH4(58:11|18:2_20:4_20:5) 7196087.5 5572026.5 TG_NH4(58:2|22:0_18:1_18:1) 252029.45 440623.72 TG_NH4(58:3|22:0_18:1_18:2) 229914.95 653391.75 TG_NH4(58:4|18:1_22:1_18:2) 346928.59 666649.5 TG_NH4(58:6|18:0_18:2_22:4) 1436615.5 1914682 TG_NH4(58:7|16:0_18:1_24:6) 4207975.5 4283008 TG_NH4(58:8|18:1_18:1_22:6) 15147519 11046843 TG_NH4(58:9|18:1_18:2_22:6) 25167808 16529052 TG_NH4(60:10|18:1_20:4_22:5) 2977072.75 2253897.25 TG_NH4(60:11|18:1_20:4_22:6) 11902784 7633094.5 TG_NH4(60:12|18:2_20:4_22:6) 21112230 10415265 TG_NH4(60:13|18:2_20:5_22:6) 9774895 4708270 TG_NH4(60:8|18:1_20:1_22:6) 1046413.69 833642.25 TG_NH4(60:9|18:1_18:2_24:6) 1874885.88 1460555.38 TG_NH4(62:13|18:1_22:6_22:6) 12487725 6908222.5 TG_NH4(62:14|18:2_22:6_22:6) 18240218 8189395.5 TG_NH4(64:16|20:4_22:6_22:6) 1109977.62 881628.31 TG_NH4(66:18|22:6_22:6_22:6) 667132 652048.19 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name mz RT Formula Ontology INCHIKEY SMILES CAR(16:0) 400.34198 8.995 C23H45NO4 CAR XOMRRQXKHMYMOC-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C CAR(18:1) 426.35739 9.216 C25H47NO4 CAR IPOLTUVFXFHAHI-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCC=CCCCCCCCC)C[N+](C)(C)C CE_NH4(16:0) 642.61743 17.252 C43H76O2 CE BBJQPKLGPMQWBU-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCC CE_NH4(16:1) 640.60205 16.867 C43H74O2 CE HODJWNWCVNUPAQ-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCC CE_NH4(17:1) 654.61774 17.11 C44H76O2 CE RLMIGWIAENJHMP-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCCC CE_NH4(18:0) 670.64917 17.747 C45H80O2 CE XHRPOTDGOASDJS-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCCCC CE_NH4(18:1(d7)) 675.67786 17.269 C45H71D7O2 CE RJECHNNFRHZQKU-LCUGTLGDNA-N [C@]12(CC=C3C[C@@H](OC(=O)CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H] CE_NH4(18:1) 668.63306 17.307 C45H78O2 CE RJECHNNFRHZQKU-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCCCCCCCC CE_NH4(18:2) 666.61877 16.97 C45H76O2 CE NAACPBBQTFFYQB-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCCCCC CE_NH4(18:3) 664.60132 16.681 C45H74O2 CE FYMCIBHUFSIWCE-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCC=CCC CE_NH4(20:1) 696.66431 17.755 C47H82O2 CE OWTYWMJVQZQWFH-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCC=CCCCCCCCC CE_NH4(20:4) 690.61761 16.838 C47H76O2 CE HZUAPDDXDDVFOX-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCC=CCC=CCC=CCC=CCC CE_NH4(20:5) 688.60162 16.567 C47H74O2 CE XZFUGMCJZFRBKF-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCC=CCC=CCC=CCC=CCC=CCC CE_NH4(22:6) 714.61853 16.718 C49H76O2 CE VOEVEGPMRIYYKC-UHFFFAOYSA-N O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCC=CCC=CCC=CCC=CCC=CCC=CCC Cer(40:1;2O|18:1;2O/22:0) 622.61188 14.687 C40H79NO3 Cer_NS KEPQASGDXIEOIL-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC Cer(42:1;2O|18:1;2O/24:0) 650.6449 14.947 C42H83NO3 Cer_NS ZJVVOYPTFQEGPH-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC Cer(42:2;2O|18:1;2O/24:1) 648.62891 14.705 C42H81NO3 Cer_NS HZPUWSUHFOTSAY-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC DG_Na(37:7) 647.4574 15.174 C40H64O5 DG HWGDKLDOTMWARD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC DG_Na(42:4) 723.58649 11.858 C45H80O5 DG VHEGSINDELCQNS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)CO)CCCCCCC DG_NH4(15:0_18:1(d7)) 605.58435 14.332 C36H61D7O5 DG GWAPRYUVSHVZHN-ZYYJJESQNA-N OC[C@]([H])(OC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O DG_NH4(32:0|16:0_16:0) 586.54065 14.433 C35H68O5 DG JEJLGIQLPYYGEE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC DG_NH4(32:1|16:0_16:1) 584.5249 14.198 C35H66O5 DG ADLOEVQMJKYKSR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)CO)CCCCCCCCCCCCCCC DG_NH4(34:0|16:0_18:0) 614.5719 14.736 C37H72O5 DG ONCLVQFEAFTXMN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC DG_NH4(34:1|16:0_18:1) 612.55591 14.517 C37H70O5 DG YEJYLHKQOBOSCP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCCCCCCCCC DG_NH4(34:2|16:0_18:2) 610.54028 14.316 C37H68O5 DG SVXWJFFKLMLOHO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCCCCCCCCC DG_NH4(36:0|18:0_18:0) 642.60211 15.008 C39H76O5 DG UHUSDOQQWJGJQS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC DG_NH4(36:1|18:0_18:1) 640.58685 14.801 C39H74O5 DG SAEPUUXWQQNLGN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC DG_NH4(36:2|18:1_18:1) 638.57141 14.591 C39H72O5 DG AFSHUZFNMVJNKX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCC=CCCCCCCCC DG_NH4(36:3|18:1_18:2) 636.55573 14.355 C39H70O5 DG BLZVZPYMHLXLHG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCCCCCCCC DG_NH4(36:4|18:2_18:2) 634.54089 14.118 C39H68O5 DG MQGBAQLIFKSMEM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCC=CCCCCC DG_NH4(38:6|18:2_20:4) 658.54108 14.085 C41H68O5 DG XQKXAZZSUMABAU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC DG_NH4(40:7|18:1_22:6) 684.55591 14.292 C43H70O5 DG ZILMKERHGSKQBG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCCCCCCCC DG_NH4(40:8|18:2_22:6) 682.53864 14.033 C43H68O5 DG GPMAAGRGFWBOSO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC HexCer(34:1;2O|18:1;2O/16:0) 700.57208 13.156 C40H77NO8 HexCer_NS VJLLLMIZEJJZTE-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC HexCer(42:1;2O|18:1;2O/24:0) 812.69629 14.617 C48H93NO8 HexCer_NS POQRWMRXUOPCLD-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC HexCer(42:2;2O|18:1;2O/24:1) 810.68097 14.343 C48H91NO8 HexCer_NS PPSREVDUNDPZIG-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC LPC(14:0/0:0) 468.30759 8.566 C22H46NO7P LPC VXUOFDJKYGDUJI-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC LPC(15:0/0:0) 482.32343 8.976 C23H48NO7P LPC RJZVWDTYEWCUAR-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC LPC(16:0) 496.33899 9.204 C24H50NO7P LPC ASWBNKHCZGQVJV-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC LPC(16:0/0:0) 496.33896 9.397 C24H50NO7P LPC ASWBNKHCZGQVJV-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC LPC(16:1/0:0) 494.32352 8.838 C24H48NO7P LPC LFUDDCMNKWEORN-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC LPC(17:0/0:0) 510.35587 9.835 C25H52NO7P LPC SRRQPVVYXBTRQK-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC LPC(18:0) 524.37122 10.07 C26H54NO7P LPC IHNKQIMGVNPMTC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC LPC(18:0/0:0) 524.36987 10.273 C26H54NO7P LPC IHNKQIMGVNPMTC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC LPC(18:1(d7)) 529.39819 9.594 C26H45D7NO7P LPC YAMUFBLWGFFICM-HNNXNMBSNA-N C(COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCC/C=CCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O LPC(18:1) 522.35419 9.429 C26H52NO7P LPC YAMUFBLWGFFICM-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC LPC(18:1/0:0) 522.35559 9.618 C26H52NO7P LPC YAMUFBLWGFFICM-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC LPC(18:2) 520.33893 8.94 C26H50NO7P LPC SPJFYYJXNPEZDW-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC LPC(18:2/0:0) 520.33905 9.106 C26H50NO7P LPC SPJFYYJXNPEZDW-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC LPC(18:3/0:0) 518.32397 8.711 C26H48NO7P LPC WKQNRCYKYCKESD-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCC=CCC LPC(19:0/0:0) 538.38623 10.706 C27H56NO7P LPC WYIMORDZGCUBAA-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC LPC(20:0/0:0) 552.4024 11.127 C28H58NO7P LPC UATOAILWGVYRQS-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC LPC(20:1/0:0) 550.38538 10.432 C28H56NO7P LPC YYSFWGQAKJTHRE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCCCCCCCC LPC(20:2/0:0) 548.37152 9.898 C28H54NO7P LPC YYQVCMMXPIJVHY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCCCCC LPC(20:3/0:0) 546.35406 9.444 C28H52NO7P LPC XUDGAAFUMTTZCO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCC=CCC LPC(20:4/0:0) 544.33862 9.11 C28H50NO7P LPC GOMVPVRDBLLHQC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC LPC(20:5/0:0) 542.32336 8.687 C28H48NO7P LPC PDIGSOAOQOXRDU-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC LPC(22:0/0:0) 580.4328 11.891 C30H62NO7P LPC UIINDYGXBHJQHX-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCC LPC(22:6/0:0) 568.33923 9.097 C30H50NO7P LPC LSOWKZULVQWMLY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC LPC(24:0/0:0) 608.46381 12.57 C32H66NO7P LPC SKJMUADLQLZAGH-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC LPC(O-16:0) 482.36093 9.817 C24H52NO6P EtherLPC RKKJZVVEVRCBJA-UHFFFAOYSA-N O=P([O-])(OCC[N+](C)(C)C)OCC(OCCCCCCCCCCCCCCCC)CO LPC(O-18:1) 508.37579 10.018 C26H54NO6P EtherLPC LGYDTKYITBAFRQ-UHFFFAOYSA-N O=P([O-])(OCC[N+](C)(C)C)OCC(OCCCCCCCCC=CCCCCCCCC)CO LPC_Na(16:0) 518.32129 9.4 C24H50NO7P LPC ASWBNKHCZGQVJV-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC LPC_Na(18:0) 546.35266 10.273 C26H54NO7P LPC IHNKQIMGVNPMTC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC LPC_Na(18:1) 544.33698 9.617 C26H52NO7P LPC YAMUFBLWGFFICM-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC LPC_Na(18:2) 542.32202 8.929 C26H50NO7P LPC SPJFYYJXNPEZDW-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC LPC_Na(20:4) 566.32074 9.117 C28H50NO7P LPC GOMVPVRDBLLHQC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC LPC_Na(22:6) 590.32098 9.103 C30H50NO7P LPC LSOWKZULVQWMLY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC LPE(16:0) 454.29276 9.528 C21H44NO7P LPE YVYMBNSKXOXSKW-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC LPE(18:0) 482.32336 10.402 C23H48NO7P LPE BBYWOYAFBUOUFP-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC LPE(18:1(d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NAE OTGQIQQTPXJQRG-UHFFFAOYSA-N O=C(NCCO)CCCCCCCCCCCCCCCCC NAE(20:0) 356.35214 11.869 C22H45NO2 NAE AUJVQJHODMISJP-UHFFFAOYSA-N O=C(NCCO)CCCCCCCCCCCCCCCCCCC NAE(20:1) 354.33594 10.312 C22H43NO2 NAE YDKRGMXLBRWZJR-UHFFFAOYSA-N O=C(NCCO)CCCCCCCCCC=CCCCCCCCC NAE(20:2) 352.32095 9.659 C22H41NO2 NAE MWQCBVWCBTUPDQ-UHFFFAOYSA-N O=C(NCCO)CCCCCCCCCC=CCC=CCCCCC NAE(22:0) 384.38269 12.587 C24H49NO2 NAE XHFWUECSNJWBJU-UHFFFAOYSA-N O=C(NCCO)CCCCCCCCCCCCCCCCCCCCC PC(30:0) 706.53644 13.088 C38H76NO8P PC LJARBVLDSOWRJT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC PC(32:0) 734.56958 13.559 C40H80NO8P PC KILNVBDSWZSGLL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC PC(32:1) 732.5531 13.221 C40H78NO8P PC MLBVVLKJELORDK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC PC(32:2) 730.53625 12.89 C40H76NO8P PC GPWHCUUIQMGELX-UHFFFAOYSA-N 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O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(52:4|16:0_18:2_18:2) 872.77026 16.182 C55H98O6 TG LXAWUIOWWNQCQA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(52:5|16:0_18:2_18:3) 870.75354 15.995 C55H96O6 TG MVAGPZSVOSGBMR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC TG_NH4(52:6|16:1_18:2_18:3) 868.73724 15.847 C55H94O6 TG NOOJQDXMGLPOOA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCCC=CCC=CCC=CCC TG_NH4(52:7|18:1_16:3_18:3) 866.72186 15.705 C55H92O6 TG LZGJVZWAEFTSNX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCC=CCC TG_NH4(53:1|17:0_18:0_18:1) 892.83246 17.128 C56H106O6 TG CTYHEFNQFHZLTL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC TG_NH4(53:2|16:0_18:1_19:1) 890.81775 16.819 C56H104O6 TG IDUAWMUEKRFTEE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC TG_NH4(53:3|17:0_18:1_18:2) 888.8009 16.553 C56H102O6 TG NIBMDPFMDDQNNX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(53:4|17:1_18:1_18:2) 886.78442 16.316 C56H100O6 TG VESVDAJIPQIOEH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(53:5|18:1_17:2_18:2) 884.76886 16.103 C56H98O6 TG MMPUZZMLBCMFDC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(54:0|16:0_18:0_20:0) 908.86499 17.67 C57H110O6 TG DHDAMQPBPJWJEI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC TG_NH4(54:1|16:0_20:0_18:1) 906.84839 17.323 C57H108O6 TG JCVFZHFBLDWEFA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC TG_NH4(54:2|16:0_18:1_20:1) 904.83167 17.001 C57H106O6 TG FPUBLSPUCGHELU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC TG_NH4(54:3|18:0_18:1_18:2) 902.81494 16.714 C57H104O6 TG CNGSOZKJBWHOEG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(54:4|18:1_18:1_18:2) 900.79865 16.464 C57H102O6 TG JTMWOTXEVWLTTO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(54:5|18:1_18:2_18:2) 898.78583 16.232 C57H100O6 TG VVEBTVMJPTZDHO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC TG_NH4(54:6|16:0_18:2_20:4) 896.77032 16.135 C57H98O6 TG NPELAMJIYLFQEL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC TG_NH4(54:6|18:1_18:2_18:3) 896.77051 16.051 C57H98O6 TG OTUIORVXGJUHBH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCC=CCC TG_NH4(54:7|18:2_18:2_18:3) 894.75238 15.941 C57H96O6 TG NGPHUAVENUDDAO-UHFFFAOYSA-N 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O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(60:13|18:2_20:5_22:6) 966.75311 15.71 C63H96O6 TG GKGVYCDLFAHWTQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(60:8|18:1_20:1_22:6) 976.83142 16.555 C63H106O6 TG YNFNQTHMVAZPPY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(60:9|18:1_18:2_24:6) 974.81519 16.352 C63H104O6 TG JUCRAOVBUUHPMF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(62:13|18:1_22:6_22:6) 994.78516 15.983 C65H100O6 TG PTACBPKQWASVGS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(62:14|18:2_22:6_22:6) 992.76801 15.805 C65H98O6 TG NVRVRYSEUZDNFH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(64:16|20:4_22:6_22:6) 1016.76892 15.759 C67H98O6 TG MOGDFJVSJLJGTK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC TG_NH4(66:18|22:6_22:6_22:6) 1040.77075 15.707 C69H98O6 TG SOFMPBOQLPVEQZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC METABOLITES_END #END