#METABOLOMICS WORKBENCH jgengatharan_20240731_102500 DATATRACK_ID:5067 STUDY_ID:ST003392 ANALYSIS_ID:AN005566 PROJECT_ID:PR002085 VERSION 1 CREATED_ON July 31, 2024, 11:50 am #PROJECT PR:PROJECT_TITLE Altered sphingolipid biosynthetic flux and lipoprotein trafficking contribute to PR:PROJECT_TITLE trans fat-induced atherosclerosis PR:PROJECT_SUMMARY The goal of the project is to determine the role of sphingolipid metabolism in PR:PROJECT_SUMMARY atherosclerosis induced by dietary trans fat. We analyzed lipid metabolites in PR:PROJECT_SUMMARY Huh7 cells following various fatty acid treatments, with specific focus on cis PR:PROJECT_SUMMARY and trans unsaturated fatty acids. Additionally, we analyzed lipid metabolites PR:PROJECT_SUMMARY in plasma and liver of Ldlr-/- mice fed high-fat diets enriched in cis or trans PR:PROJECT_SUMMARY fatty acids in the presence or absence of myriocin, a pharmacological inhibitor PR:PROJECT_SUMMARY of SPT, the initial rate-limiting enzyme of sphingolipid biosynthesis. PR:INSTITUTE Salk Institute for Biological Studies PR:LAST_NAME Gengatharan PR:FIRST_NAME Jivani PR:ADDRESS 10010 N Torrey Pines Rd, La Jolla, CA, 92037, USA PR:EMAIL jivani14@gmail.com PR:PHONE (858) 453-4100 #STUDY ST:STUDY_TITLE Impact of high-fat diet enriched in cis or trans fatty acids and myriocin on ST:STUDY_TITLE hepatic sphingolipids in Ldlr-/- mice ST:STUDY_SUMMARY We analyzed sphingolipids in the liver of Ldlr-/- mice fed 1) Cis HFD, 2) Cis ST:STUDY_SUMMARY HFD + Myriocin, 3) Trans HFD, or 4) Trans HFD + Myriocin. We aimed to determine ST:STUDY_SUMMARY how dietary cis and trans monounsaturated fatty acids impact hepatic ST:STUDY_SUMMARY sphingolipids while pharmacologically inhibiting the initial rate-limiting ST:STUDY_SUMMARY enzyme of sphingolipid biosynthesis, serine palmitoyltransferase (SPT), via ST:STUDY_SUMMARY myriocin. ST:INSTITUTE Salk Institute for Biological Studies ST:LAST_NAME Gengatharan ST:FIRST_NAME Jivani ST:ADDRESS 10010 N Torrey Pines Rd, La Jolla, CA, 92037, USA ST:EMAIL jivani14@gmail.com ST:PHONE (858) 453-4100 #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 - Liver_C8_CisHFD_12 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_12.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_13 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_13.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_14 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_14.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_15 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_15.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_31 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_31.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_32 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_32.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_33 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_33.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_34 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_34.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFD_35 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFD_35.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_101 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_101.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_102 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_102.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_103 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_103.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_104 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_104.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_105 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_105.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_141 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_141.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_142 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_142.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_143 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_143.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_144 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_144.d SUBJECT_SAMPLE_FACTORS - Liver_C8_CisHFDMyr_145 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_CisHFDMyr_145.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_42 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_42.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_43 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_43.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_44 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_44.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_45 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_45.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_81 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_81.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_82 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_82.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_83 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_83.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_84 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_84.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFD_85 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFD_85.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_61 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_61.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_62 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_62.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_63 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_63.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_64 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_64.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_65 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_65.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_91 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_91.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_92 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_92.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_93 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_93.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_94 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_94.d SUBJECT_SAMPLE_FACTORS - Liver_C8_TransHFDMyr_95 Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Liver_C8_TransHFDMyr_95.d #COLLECTION CO:COLLECTION_SUMMARY Tissues were collected after mice were fasted for 6 hours. Mice were CO:COLLECTION_SUMMARY anesthetized with isoflurane and tissues were freeze-clamped immediately using CO:COLLECTION_SUMMARY Wollenberger clamps pre-cooled to the temperature of liquid nitrogen and stored CO:COLLECTION_SUMMARY at -80°C until analysis. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Four-five-week-old Ldlr-/- C57BL/6J male and female mice (JAX# 002207) were fed TR:TREATMENT_SUMMARY with irradiated 60% high fat diets (HFD) prepared by Dyets for 16 weeks. These TR:TREATMENT_SUMMARY diets include Cis Unsaturated HFD (105063GI), Cis Unsaturated HFD with 2.2 mg/kg TR:TREATMENT_SUMMARY Myriocin Added (105064GI), Trans Unsaturated HFD (105061GI), and Trans TR:TREATMENT_SUMMARY Unsaturated HFD with 2.2 mg/kg Myriocin Added (105061GI). The Trans Unsaturated TR:TREATMENT_SUMMARY HFD was designed with 100% Primex, a partially hydrogenated vegetable oil, and TR:TREATMENT_SUMMARY the Cis Unsaturated HFD was designed with 34% lard and 66% olive oil. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen liver (20-30 mg) was spiked with the following internal standards: 20 SP:SAMPLEPREP_SUMMARY pmol sphinganine-d7 (Avanti Polar Lipids, Cat# 860658), deoxysphinganine-d3 SP:SAMPLEPREP_SUMMARY (Avanti Polar Lipids, Cat# 860474), 100 pmol d18:0-d7/13:0 dihydroceramide SP:SAMPLEPREP_SUMMARY (Avanti Polar Lipids, Cat# 330726), 200 pmol d18:1-d7/15:0 ceramide (Avanti SP:SAMPLEPREP_SUMMARY Polar Lipids, Cat# 860681), 100 pmol d18:1-d7/15:0 glucosylceramide (Avanti SP:SAMPLEPREP_SUMMARY Polar Lipids, Cat# 330729), 100 pmol d18:1-d7/15:0 lactosylceramide (Avanti SP:SAMPLEPREP_SUMMARY Polar Lipids, Cat# 330727), 200 pmol sphingosine-d7 (Avanti Polar Lipids, Cat# SP:SAMPLEPREP_SUMMARY 860657), and 200 pmol d18:1/18:1-d9 sphingomyelin (Avanti Polar Lipids, Cat# SP:SAMPLEPREP_SUMMARY 791649). Tissue was homogenized with 0.5 mL methanol and 0.5 mL H2O. Homogenate SP:SAMPLEPREP_SUMMARY aliquot of 100 µL was taken to determine protein content using the BCA protein SP:SAMPLEPREP_SUMMARY assay (Thermo Fisher Scientific). The remaining homogenate was transferred to a SP:SAMPLEPREP_SUMMARY new Eppendorf tube and 1 mL chloroform was added. Samples were vortexed for 5 SP:SAMPLEPREP_SUMMARY min and centrifuged for 5 min at 4 ˚C at 15,000g. The organic phase was SP:SAMPLEPREP_SUMMARY collected and 2 μL of formic acid was added to the remaining polar phase which SP:SAMPLEPREP_SUMMARY was re-extracted with 1 mL of chloroform. Combined organic phases were dried SP:SAMPLEPREP_SUMMARY under nitrogen. After dried extracts for liver and plasma were resuspended in SP:SAMPLEPREP_SUMMARY 100 µl Buffer B, 5 µL of sample was injected. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 Infinity II CH:COLUMN_NAME Peeke Scientific Spectra C8SR (150 x 3.0 mm, 3μm) CH:SOLVENT_A 100% water; 0.2% formic acid; 2 mM ammonium formate CH:SOLVENT_B 100% methanol; 0.2% formic acid; 1 mM ammonium formate CH:FLOW_GRADIENT 0 min, 82% B; 3 min, 82% B; 4 min, 90% B; 18 min, 99% B; 25 min, 99% B; 27 min, CH:FLOW_GRADIENT 82% B; 30 min, 82% B CH:FLOW_RATE 0.5 mL/min CH:COLUMN_TEMPERATURE 40˚C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6460 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Sphingolipid species were analyzed by multiple reaction monitoring of the MS:MS_COMMENTS transition from precursor to product ions at associated optimized collision MS:MS_COMMENTS energies, and fragmentor voltages using Agilent Masshunter. The m/z values of MS:MS_COMMENTS the precursor and product ions are provided in the metabolite metadata section. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples Liver_C8_CisHFD_12 Liver_C8_CisHFD_13 Liver_C8_CisHFD_14 Liver_C8_CisHFD_15 Liver_C8_CisHFD_31 Liver_C8_CisHFD_32 Liver_C8_CisHFD_33 Liver_C8_CisHFD_34 Liver_C8_CisHFD_35 Liver_C8_CisHFDMyr_101 Liver_C8_CisHFDMyr_102 Liver_C8_CisHFDMyr_103 Liver_C8_CisHFDMyr_104 Liver_C8_CisHFDMyr_105 Liver_C8_CisHFDMyr_141 Liver_C8_CisHFDMyr_142 Liver_C8_CisHFDMyr_143 Liver_C8_CisHFDMyr_144 Liver_C8_CisHFDMyr_145 Liver_C8_TransHFD_42 Liver_C8_TransHFD_43 Liver_C8_TransHFD_44 Liver_C8_TransHFD_45 Liver_C8_TransHFD_81 Liver_C8_TransHFD_82 Liver_C8_TransHFD_83 Liver_C8_TransHFD_84 Liver_C8_TransHFD_85 Liver_C8_TransHFDMyr_61 Liver_C8_TransHFDMyr_62 Liver_C8_TransHFDMyr_63 Liver_C8_TransHFDMyr_64 Liver_C8_TransHFDMyr_65 Liver_C8_TransHFDMyr_91 Liver_C8_TransHFDMyr_92 Liver_C8_TransHFDMyr_93 Liver_C8_TransHFDMyr_94 Liver_C8_TransHFDMyr_95 Factors Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse liver | Group:Trans HFD + Myriocin Cer d7-d18:1/15:0 181283 156171 177959 120267 169444 169830 162504 193684 146610 158894 111667 148171 186142 182867 190614 181842 196076 211958 172875 200762 166584 187751 191751 209711 243554 147146 304677 218164 81016 154911 151736 212911 99760 125113 160101 169893 158372 158159 Cer d18:1/16:0 440782 355767 755310 658441 497867 180317 150993 268775 240792 179443 651148 593716 177350 222393 210031 247707 258143 273867 739742 310304 167114 238357 121217 154715 257691 132991 157679 235526 61775 85698 79408 76299 111498 102009 87782 92883 134255 89553 Cer d18:1/22:0 1759718 1175307 1704411 1230432 1461418 1790944 1323821 1454291 1703561 1020348 732072 713719 1000945 884482 1804143 541237 1251073 1627787 823044 1415832 1319351 1232546 1325121 1217723 931879 1449331 845540 1033717 743708 769236 707363 670100 291355 1052220 855334 638141 941536 617271 Cer d18:1/22:1 155140 162679 246747 186609 220211 158003 124729 157156 191732 65195 60686 42884 96946 71378 103718 51870 108511 98180 68705 541526 537497 521866 512014 454535 321937 596633 386221 361177 283436 330428 333398 291910 156682 407979 354555 283054 419843 282640 Cer d18:1/23:0 477825 567337 593418 598358 514021 511159 363830 387529 480777 229479 408163 524507 247683 205665 601080 201117 310914 567784 549636 1010548 499998 480794 452780 474238 495088 571806 442339 484119 266820 326495 196615 207226 105922 314853 277216 262877 362473 263146 Cer d18:1/24:0 648299 698967 945417 739680 775281 833965 595636 532610 706729 505146 643924 779044 424811 343262 952233 354343 484795 845955 731244 1124233 727383 799606 666363 619108 742668 744690 503896 734147 444121 499884 302680 377447 185780 587488 467779 429219 615649 452671 Cer d18:1/24:1 2001401 1945168 2928074 2363468 2575771 1655727 1480777 1690516 1784425 1293323 2235887 2008921 1325962 1235862 1614955 626974 1380819 1872898 2401991 2534870 1784376 1804492 1397435 1393450 1438733 1520700 1392736 1586833 1003982 1204556 934068 1038628 310918 1221625 1194350 1066509 1532894 1071048 DHCer d7-d18:0/13:0 2717493 2575522 2609517 1779894 1862136 2711913 2070122 3195165 2353623 2359714 1406042 2498445 3082556 2786316 4043740 2400023 2821981 3427428 2756688 5949395 3006677 2977830 2922749 3259678 3420541 2704738 2868997 2511498 1686960 3541947 3212442 3069892 1339032 3164082 3469459 3241561 3606140 3583944 DHCer d18:0/20:0 47391 67346 62118 59531 65101 46974 49871 56196 48566 26825 37932 37712 46095 38361 39870 13480 44863 43925 34006 57438 58959 55738 54899 52819 37589 47455 65986 61285 44930 49277 36697 48472 3766 40024 39735 46002 40565 40259 DHCer d18:0/20:1 9091 16481 14345 12333 11492 9858 11557 10744 5651 4425 5480 6460 9379 7437 3608 3313 8179 5989 6775 18962 22722 24917 20203 17574 12551 15360 20083 21060 19787 21376 12317 22617 3191 15456 15649 17485 14132 18004 DHCer d18:0/22:0 73618 51583 77689 54239 56359 73737 65228 59024 78906 33985 19557 20898 36903 27327 77102 9937 40401 50952 21875 87585 63760 50694 58519 45826 40619 64368 49198 41698 35806 35241 20663 35805 5993 51090 33352 36942 51078 31252 DHCer d18:0/22:1 111967 140475 125883 130630 132308 114287 118047 124770 86595 82933 105576 96102 119065 98461 100872 29691 114145 108550 80053 162341 168933 163408 190643 153955 132662 148584 186977 185341 179390 173508 145873 194740 18885 159898 160993 176900 161813 159606 DHCer d18:0/23:0 24554 15006 25835 19529 22857 19224 16264 27137 19370 3740 8188 4365 6391 4659 7289 2945 9326 8764 6937 22452 15814 14451 16866 14706 18936 18780 14001 15401 2491 5350 5396 8194 1595 11509 9996 6524 11276 7605 DHCer d18:0/24:0 35514 40808 41873 32015 33885 69128 39642 40824 44476 16177 11786 24618 17423 11389 50050 9097 16465 24235 17590 90347 35348 36158 34128 31520 39777 45706 31028 32096 20585 23678 11986 14271 3330 29895 22811 23687 36561 17376 DHCer d18:0/24:1 61317 86219 117783 100911 86772 67434 50180 63740 71632 40958 38717 42030 58216 42174 78670 12144 39099 56428 41009 99010 69504 76873 68937 54521 37036 58208 62688 59602 69058 69680 27064 56151 5949 67118 53411 66927 70541 42758 doxDHCer m18:0/18:0 12778 9556 12402 10160 16176 8220 9718 13512 9831 3566 6652 4719 3315 4758 1661 6701 4628 3483 7356 15383 10329 7424 7688 6750 9683 3300 7731 10566 2946 1999 1045 3209 1981 2748 1700 1423 2374 2342 doxDHCer m18:0/20:0 29049 43995 44775 44920 54480 32666 42439 49581 44101 15833 23074 23001 20322 13946 19515 11125 18502 22425 26470 104521 54223 44741 42853 40788 38600 47538 50335 48587 17917 19519 16324 21588 4094 17821 15500 15854 16669 19985 doxDHCer m18:0/22:0 200798 181617 279190 205107 307773 228300 190977 203988 281176 67121 74139 77483 91887 56587 93264 18338 63605 118316 86655 679758 368503 306537 300922 309920 286543 329703 260125 351654 87117 76071 48044 77157 9588 80123 62961 61619 70829 85360 doxDHCer m18:0/22:1 25657 37605 36997 33378 45376 22428 23561 25122 31491 9214 7592 9168 13780 9726 12790 3105 8459 13699 10282 195685 139816 132854 123253 107165 80608 113543 138339 111196 32657 31890 25930 43081 4030 40840 30882 33796 30072 32180 doxDHCer m18:0/23:0 84562 108099 108920 113317 119285 111319 75006 95162 98486 18562 35014 43276 28215 20070 51994 4816 19945 41545 55740 591656 153525 176152 130244 144375 146362 129542 145099 164594 38786 39796 20146 30344 1600 29783 28418 27915 27779 31856 doxDHCer m18:0/24:0 87895 128267 138086 120393 148901 126247 92002 95696 126541 37722 55634 69958 47483 28720 76662 5854 41071 61415 78840 788048 188215 181102 134424 164306 173626 148404 146725 180149 51146 53634 30637 43888 3312 47158 44606 42393 48495 47644 doxDHCer m18:0/24:1 237889 370924 495268 531728 518406 234382 193979 220077 298986 78239 118971 175211 108930 78186 149862 18601 71957 148497 178431 955143 344500 386668 271393 248677 317237 223984 339724 396325 106536 120717 50908 100985 7858 72535 79192 96631 85276 102522 Gluc-Cer d7-18:1/15:0 44907 43768 43856 27421 23255 40677 23551 55828 38107 39288 20597 38884 52180 40507 60319 41017 38903 57296 34797 75201 59834 42989 36376 58380 47625 43493 36646 31319 17333 63564 46339 40269 19461 51776 48546 47737 52192 50922 Hex-Cer d18:1/16:0 488775 729083 581143 818080 733179 630697 375405 540415 499895 678495 762328 984037 712138 636201 806369 424523 666093 702155 842910 1059763 466598 552297 414264 416238 515514 424852 392532 702182 456671 500160 407749 439920 202883 583144 529105 620944 686689 500196 Hex-Cer d18:1/22:0 151131 275866 190009 196615 247977 358407 155459 259018 260222 155437 131170 174496 251619 175274 287504 71079 256227 207862 135980 168066 178910 176652 238687 236704 124966 253835 176421 204380 165526 213293 180076 177593 113428 213275 190340 207125 217323 191906 Hex-Cer d18:1/22:1 1061 6560 4337 5460 7418 6404 1682 4322 4198 1153 2671 1581 4049 2085 3022 1420 4597 2721 1870 18665 27153 29505 29650 26736 17101 31789 20611 21196 26496 36016 34759 27646 9918 31296 30461 30182 34173 32328 Hex-Cer d18:1/23:0 28337 78981 46264 64859 69678 38141 21793 48962 30711 17936 43030 58963 36086 30312 23921 24721 42960 34781 47424 117256 45847 58821 54707 53453 43646 45489 63266 88215 40616 46544 33868 47279 41882 35958 35543 41794 42432 34659 Hex-Cer d18:1/24:0 126106 248972 157098 292539 235390 243905 110166 152697 181010 164556 177698 252263 214223 161389 270018 96994 149704 220336 194698 268796 238147 260440 228463 220406 205929 258478 315364 321325 250014 354524 157186 246765 91850 255730 196110 288021 261001 215841 Hex-Cer d18:1/24:1 34056 92197 74483 109365 97525 65357 27912 61707 47786 64690 105779 128132 75706 66883 56452 38198 59778 61640 124774 164559 73150 79166 64916 62423 69326 57432 52019 88735 82075 123845 107353 91891 83914 87841 94245 106269 155695 114181 Lac-Cer d7-d18:1/15:0 26717 29076 27850 14301 22147 19682 21041 31684 23182 26249 13792 22638 22696 24539 28751 31950 24846 33651 25405 50318 31288 30485 31373 37308 37819 24810 32696 29932 17072 36463 31451 33623 21731 24789 30077 29204 31804 29801 Lac-Cer d18:1/16:0 35520 76016 67608 82337 30679 56526 65243 47284 38161 43928 67687 126819 65648 47082 69971 42516 35671 71362 111246 120929 49892 44081 24488 36222 42783 38733 19473 34271 38472 55793 54403 30061 15044 56509 67814 52468 81078 61045 Lac-Cer d18:1/18:0 3360 5970 4306 6016 3661 2365 2515 2095 1153 1556 6362 7270 2636 3154 2609 16133 2146 2665 9382 2432 1185 1902 1498 1400 1899 1461 1791 2054 1820 1267 2184 1062 1581 2906 1815 1694 2685 Lac-Cer d18:1/22:0 13736 25836 19896 18094 21414 19330 20769 19490 15173 11644 13296 19847 16159 11791 20432 6446 21437 18355 20135 16594 16039 15533 22262 20011 14118 23275 20013 20125 13976 19384 18063 16589 10498 19246 16283 19226 20264 18896 Lac-Cer d18:1/23:0 3515 5741 3028 3813 4948 3357 3540 3823 2371 1607 5305 5896 3242 2078 3153 2518 3940 3967 6413 7692 3285 3356 3403 3536 5247 3964 3765 4897 5515 4486 3233 3183 4452 4389 5204 4721 4751 4532 Lac-Cer d18:1/24:0 7429 12868 10462 13275 13879 6697 8182 5693 5544 3927 13742 11501 10907 6853 7348 3542 9773 7173 13798 12606 12330 12440 13439 12017 10695 11431 12813 15807 7765 11686 9962 10960 5639 12233 11764 13050 15830 9700 Lac-Cer d18:1/24:1 6876 11201 14596 13854 10766 6133 6474 6526 6380 8111 14937 16594 9394 8870 5598 5074 10500 6544 13496 4082 7717 6117 5579 4632 6181 3709 5194 8462 2235 5856 6422 4973 2700 2845 6849 6892 7410 7051 Lac-Cer d18:2/16:0 2833 4515 2021 2997 1310 3089 2055 4250 5107 4257 933 839 2314 2560 4676 5634 1706 5477 1269 4342 2434 2336 1209 2177 2359 1594 1629 3730 5860 5932 2068 1430 2627 3001 4133 5446 3901 SM d9-d18:1/18:1 1110715 805446 1042829 601412 814259 525638 737462 733316 769719 839910 769794 991242 846363 1188674 655230 842211 946041 856727 1118520 1067561 801224 857639 872262 857431 1329269 573284 1379504 971869 284101 625441 532557 868532 372226 550106 577419 701782 551617 630002 SM d32:0 29158 67015 39187 44201 49211 80102 49444 62777 34734 25058 84438 139584 56024 41995 105927 41829 62709 82324 100934 90293 23969 37430 45025 37438 43236 49762 28923 38790 63745 73518 48553 47742 17466 56814 60727 56098 59068 71873 SM d34:0 1532357 1786951 1775353 1976147 1997842 1717749 1546522 1898457 1551522 1531186 2561688 2644684 1400026 1640951 1538977 2588150 1554327 1424091 2413529 2030664 1249186 1313813 1213955 1310020 1788746 1282537 1434160 1697941 913163 996288 979062 999553 649434 1086199 1028580 1194469 1188627 1170179 SM d36:0 74902 86561 82103 83098 77974 79850 67804 72384 66139 109614 134071 119490 81137 113354 48578 89544 75641 67105 98063 60921 57388 64674 55584 49163 65180 64412 60573 71034 68251 74064 75205 60767 46626 84475 67215 81936 86167 70604 SM d38:0 671111 472273 557181 518934 508399 583474 542106 629226 562921 736703 509234 550735 744486 709815 979113 222057 570673 746519 532281 535675 488162 380578 526713 461494 406027 518195 335218 374678 578136 590705 480497 433694 113142 539179 628062 539861 636738 495395 SM d40:0 2947762 2535248 2355202 2762400 2320722 4414379 2967140 2541522 3936224 2744701 889619 1131401 1777566 2625625 7097117 1124475 2428534 3043224 870791 3271598 3844231 2929985 4507921 3074416 3104656 5296190 3006027 2784068 3019857 4213068 1717187 2012410 584758 4227194 3214406 3618450 3506021 2411458 SM d42:0 825375 2123398 1267573 1820757 1275562 1808502 1061632 1209539 1406192 711118 538183 780048 882161 580555 2806943 313392 694326 842350 667347 2233807 1038315 1373229 2364859 1394559 1452663 2363263 1254793 1509328 1589347 1930573 596328 621456 130104 1169165 1107836 1467993 1648837 868378 SM d32:1 1664774 3358992 1922526 2427925 1965334 3362642 2359330 2646543 1909893 1599053 4614485 6672229 3679289 2134724 5005390 2839057 3714332 3542036 4442051 3958049 1447051 1639134 2094545 1766800 2216335 2108635 1523166 1980760 3644097 3413654 3005734 2586943 721675 2453991 3170107 3307961 2756583 3100823 SM d32:2 24135 73938 31810 35250 30238 61018 49153 46648 40484 36888 57170 75240 64412 39436 86731 50718 58951 52518 48805 222525 76208 82403 118957 87519 135273 112251 61201 70212 229284 245045 206048 151822 43774 163645 196267 198507 185511 204234 SM d32:3 1419 1334 1491 2150 1003 1285 1809 1062 1882 1832 1329 1514 1208 1188 2213 2085 2021 3086 2039 7611 2360 4697 4785 3207 7237 5596 3512 2182 9309 10825 11967 5522 2736 6095 8469 7458 10280 11913 SM d34:1 66639084 67566822 73380378 71885687 64676915 53527938 61000855 58343887 56864619 61829960 94974005 99991393 55353929 64624621 53452726 61175310 59021583 58509683 96028210 68240465 36088040 46146374 40138072 42572114 58722418 38717333 51482894 60480560 32813322 34954542 34832161 36962442 19212385 35130693 32608307 39055349 36239087 37386934 SM d34:2 4120706 7649282 4579250 5129319 5047208 8796603 6342459 6611001 5192280 5115998 8280066 10624767 9405532 6541826 13742730 6354151 8552871 10054494 7009455 21007258 7492916 7772883 11229825 8550948 10921553 11492645 7516760 8639452 20265619 18923169 17810074 13365467 4279919 16619685 17239650 18093896 19401068 17903142 SM d34:3 7254 18922 10441 11479 12185 18238 11989 16399 13326 7773 12879 7822 10270 8056 15667 14281 12164 15708 9880 178202 97815 104714 157102 123386 171786 175990 95988 105771 315741 338893 296249 209245 82067 237229 278873 302262 359510 306373 SM d36:1 1822094 2026519 1810599 1645697 1360005 1321206 1538018 1506399 1181673 3355497 4060324 4133855 1752387 2949709 1597884 2444432 2196602 2068933 3502073 400250 455839 587192 442224 442212 556837 445472 623875 743652 459171 494240 506893 538397 476209 490459 430371 560201 201080 518533 SM d36:2 634981 884326 770049 749956 648090 584843 663371 610936 656123 976871 2138667 2527964 882832 967549 693536 932226 908258 837524 2005407 5825708 2647004 2840029 2736632 2132439 5621052 2297777 2788865 2895922 4585713 5681084 4804231 4239505 2537342 4317368 4511050 5354906 5502277 5022946 SM d36:3 190768 310277 239473 238150 250895 287802 266111 246631 254554 166490 459973 546115 316269 199951 413699 216256 292984 325321 358685 5264230 1398278 1497504 2175049 1359067 2580027 1967340 1581630 1689937 5573311 5283109 4323403 3536227 1504914 3470577 4284414 4174683 4599925 4386767 SM d36:4 16348 27351 20544 18000 14330 26133 21129 21445 21749 11048 33878 49050 26042 16055 42959 19093 27893 33464 32004 315076 95595 94153 138788 92020 176664 140018 78006 88616 406690 388259 315002 222267 50267 268898 334449 313720 356878 317148 SM d38:1 9083076 7538805 6223193 4851402 5071431 8648224 8887250 7799765 6506277 15708954 8694542 9522179 8846247 11773222 10621362 9634715 10620023 10835817 7683079 4063680 5958849 4961506 5944068 5411951 5009845 6369435 4577786 4841798 8822274 9346041 9004052 6597118 5257948 8401880 8285803 7800760 8551898 8635860 SM d38:2 147570 222154 177530 191329 135729 153875 195693 165409 176915 230512 209153 223672 199762 223031 140658 235650 176639 156469 193451 554311 559523 532141 604687 538721 770194 561853 531612 451837 674483 841980 698125 712736 637021 732208 718325 761115 682870 827495 SM d40:1 86458585 66776593 63641814 60008264 67689231 97393007 90528993 81209844 84970349 81988679 51583331 56802129 78112901 80295506 97914476 35258154 87303488 92277532 48971696 58636879 77177567 69162571 84516876 81097932 63444067 89974862 71117985 70778303 77311687 80502732 70941965 70097327 22822268 83469836 79292511 70895498 78975316 67872876 SM d40:2 8458704 9651413 8501263 7885984 8301232 12710744 11397219 9656459 12020240 11428276 5649573 7004341 12037848 10832358 14117612 7050992 10804147 11369802 6738468 13762893 16227422 13195601 18776124 15763729 15525112 20204687 12154750 11296332 20136693 20575105 17331505 15529957 11916346 17920541 18368963 16182317 16582862 17583739 SM d42:1 45657532 70308146 54411062 67716622 54084599 79837370 62644060 48735871 57455361 60995184 61317416 85948499 59346839 46277365 99685302 19985171 49528520 83245965 70657350 86962238 60979239 72240368 68637253 59753399 60709541 74357146 63489941 65891601 72112681 79456785 41226014 46471573 11537826 64383486 57652686 62751431 65090991 57963361 SM d42:2 92454131 112506116 101995389 115507937 108183519 107992397 87725788 97319407 88988321 111486295 135676090 143053825 112686001 109579602 120304524 42668178 113730073 120042707 133780835 112931400 92960807 95291405 103473820 95284025 99973144 98835834 96231891 103850296 125396833 128221499 103105796 108298813 28005550 104694232 114479972 113092515 125075620 116114053 SM d42:3 5580263 9219480 6484665 8200520 7359158 9858954 7007237 8180705 7769752 11491123 16516261 19646690 12325095 11859412 14725287 5350657 10606939 13951978 16796248 32521616 13834118 13270118 14988170 14204379 19283776 15372649 11957361 13896641 25674196 26816302 23264769 18569271 8592305 20106108 21946473 21730870 30506050 26599117 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Precursor Ion Product Ion Cer d7-d18:1/15:0 531.5 271.3 Cer d18:1/16:0 538.5 264.2 Cer d18:1/22:0 622.6 264.2 Cer d18:1/22:1 620.6 264.2 Cer d18:1/23:0 636.6 264.2 Cer d18:1/24:0 650.6 264.2 Cer d18:1/24:1 648.6 264.2 DHCer d7-d18:0/13:0 505.5 487.5 DHCer d18:0/20:0 596.5 266.2 DHCer d18:0/20:1 594.5 266.2 DHCer d18:0/22:0 624.6 266.2 DHCer d18:0/22:1 622.6 266.2 DHCer d18:0/23:0 638.6 266.2 DHCer d18:0/24:0 652.6 266.2 DHCer d18:0/24:1 650.6 266.2 doxDHCer m18:0/18:0 552.5 268.3 doxDHCer m18:0/20:0 580.5 268.3 doxDHCer m18:0/22:0 608.6 268.3 doxDHCer m18:0/22:1 606.6 268.3 doxDHCer m18:0/23:0 622.6 268.3 doxDHCer m18:0/24:0 636.6 268.3 doxDHCer m18:0/24:1 634.6 268.3 Gluc-Cer d7-18:1/15:0 693.6 271.2 Hex-Cer d18:1/16:0 700.6 264.2 Hex-Cer d18:1/22:0 784.6 264.2 Hex-Cer d18:1/22:1 782.6 264.2 Hex-Cer d18:1/23:0 798.6 264.2 Hex-Cer d18:1/24:0 812.7 264.2 Hex-Cer d18:1/24:1 810.7 264.2 Lac-Cer d7-d18:1/15:0 855.6 271.2 Lac-Cer d18:1/16:0 862.7 264.2 Lac-Cer d18:1/18:0 890.7 264.2 Lac-Cer d18:1/22:0 946.7 264.2 Lac-Cer d18:1/23:0 960.7 264.2 Lac-Cer d18:1/24:0 974.7 264.2 Lac-Cer d18:1/24:1 972.7 264.2 Lac-Cer d18:2/16:0 860.6 262.2 SM d9-d18:1/18:1 738.6 184.1 SM d32:0 677.5 184.1 SM d34:0 705.6 184.1 SM d36:0 733.6 184.1 SM d38:0 761.6 184.1 SM d40:0 789.7 184.1 SM d42:0 817.7 184.1 SM d32:1 675.5 184.1 SM d32:2 673.5 184.1 SM d32:3 671.5 184.1 SM d34:1 703.6 184.1 SM d34:2 701.6 184.1 SM d34:3 699.6 184.1 SM d36:1 731.6 184.1 SM d36:2 729.6 184.1 SM d36:3 727.6 184.1 SM d36:4 725.6 184.1 SM d38:1 759.6 184.1 SM d38:2 757.6 184.1 SM d40:1 787.7 184.1 SM d40:2 785.7 184.1 SM d42:1 815.7 184.1 SM d42:2 813.7 184.1 SM d42:3 811.7 184.1 METABOLITES_END #END