#METABOLOMICS WORKBENCH jgengatharan_20240802_082301 DATATRACK_ID:5076 STUDY_ID:ST003381 ANALYSIS_ID:AN005539 PROJECT_ID:PR002085 VERSION 1 CREATED_ON August 2, 2024, 8:42 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 newly synthesized sphingolipids from D2O in circulation in Ldlr-/- mice ST:STUDY_SUMMARY We analyzed newly synthesized DHCer, Cer, and SM in plasma of Ldlr-/- mice fed ST:STUDY_SUMMARY 1) Cis HFD, 2) Cis HFD + Myriocin, 3) Trans HFD, or 4) Trans HFD + Myriocin. We ST:STUDY_SUMMARY aimed to determine how dietary cis and trans monounsaturated fatty acids impact ST:STUDY_SUMMARY hepatic secretion of newly synthesized sphingolipids into circulation while ST:STUDY_SUMMARY pharmacologically inhibiting the initial rate-limiting enzyme of sphingolipid ST:STUDY_SUMMARY biosynthesis, serine palmitoyltransferase (SPT), via 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 - PlasmaD2O_CisHFD_71 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_71.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFD_72 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_72.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFD_73 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_73.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFD_74 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_74.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFD_75 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_75.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFDMyr_111 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFDMyr_111.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFDMyr_112 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFDMyr_112.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFDMyr_113 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFDMyr_113.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFDMyr_114 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFDMyr_114.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFDMyr_115 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFDMyr_115.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_21 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_21.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_22 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_22.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_23 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_23.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_24 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_24.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_25 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_25.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_51 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_51.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_52 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_52.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_53 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_53.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_54 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_54.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_55 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_55.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_CisHFD_152_MS2_top12 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_CisHFD_152_MS2_top12.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFD_22_MS2_top12 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFD_22_MS2_top12.mzXML SUBJECT_SAMPLE_FACTORS - PlasmaD2O_TransHFDMyr_52_MS2_top12 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O RAW_FILE_NAME(Raw file name)=PlasmaD2O_TransHFDMyr_52_MS2_top12.mzXML #COLLECTION CO:COLLECTION_SUMMARY Blood was collected in EDTA-coated tubes (Sarstedt Inc.) and centrifuged at CO:COLLECTION_SUMMARY 2000g for 5 min. The plasma supernatant was transferred to a new Eppendorf tube CO:COLLECTION_SUMMARY and stored 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. Following TR:TREATMENT_SUMMARY 16 weeks of diet administration, mice were administered D2O in 0.9% NaCl at a TR:TREATMENT_SUMMARY dose of 0.027 mL/g body weight via intraperitoneal injection. Drinking water was TR:TREATMENT_SUMMARY replaced with 8% D2O drinking water for 30 hours. 24 hours post-injection, mice TR:TREATMENT_SUMMARY were fasted for 6 hours with 8% D2O drinking water provided ad libitum. Blood TR:TREATMENT_SUMMARY were collected as described above. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sphingolipid biosynthesis via 2H2O enrichment in plasma was quantified by SP:SAMPLEPREP_SUMMARY spiking 10 µL of plasma with internal standards 100 pmol d18:0-d7/13:0 SP:SAMPLEPREP_SUMMARY dihydroceramide (Avanti Polar Lipids, Cat# 330726), 200 pmol d18:1-d7/15:0 SP:SAMPLEPREP_SUMMARY ceramide (Avanti Polar Lipids, Cat# 860681), and 1 ug 15:0-18:1(d7) SP:SAMPLEPREP_SUMMARY phosphatidylcholine (Avanti Polar Lipids, Cat #791637). 0.5 mL methanol, 0.5 mL SP:SAMPLEPREP_SUMMARY H2O, and 1 mL chloroform were added directly. Samples were vortexed for 5 min, SP:SAMPLEPREP_SUMMARY centrifuged for 5 min at 4 ˚C at 15,000g. The organic phase was collected and 2 SP:SAMPLEPREP_SUMMARY μL of formic acid was added to the remaining polar phase which was re-extracted SP:SAMPLEPREP_SUMMARY with 1 mL of chloroform. Combined organic phases were dried under nitrogen. SP:SAMPLEPREP_SUMMARY After dried extracts for plasma were resuspended in 60 µl MeOH, 5 µL of sample SP:SAMPLEPREP_SUMMARY was injected. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 98% water, 2% methanol; 5 mM ammonium acetate CH:SOLVENT_B 50% methanol, 50% isopropanol; 5 mM ammonium acetate CH:FLOW_GRADIENT 0 min, 30%B; 1 min, 30%B; 2 min, 70%B; 11 min, 95%B; 17 min, 30%B; 21.5 min, CH:FLOW_GRADIENT 30%B; 27 min, 30%B. CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE 35˚C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Lipids were identified in EL-MAVEN using exact mass of precursor ion in MS1 MS:MS_COMMENTS chromatogram and product ion in MS2 spectra. Lipids were quantified using peak MS:MS_COMMENTS areas in MS1 chromatogram. Relative abundance of lipids was calculated by MS:MS_COMMENTS normalizing to internal standard specific to lipid class and volume of plasma. MS:MS_COMMENTS Sphingomyelin was normalized to 15:0-18:1(d7) phosphatidylcholine as a MS:MS_COMMENTS deuterated sphingomyelin standard would have interfered with the mass MS:MS_COMMENTS isotopologue distribution of specific sphingomyelin species. The percent MS:MS_COMMENTS isotopologue distribution of each sphingolipid was determined and corrected for MS:MS_COMMENTS natural 13C abundance, the most abundant natural stable isotope, using in-house MS:MS_COMMENTS algorithms adapted from a previous report. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples PlasmaD2O_CisHFD_71 PlasmaD2O_CisHFD_72 PlasmaD2O_CisHFD_73 PlasmaD2O_CisHFD_74 PlasmaD2O_CisHFD_75 PlasmaD2O_CisHFDMyr_111 PlasmaD2O_CisHFDMyr_112 PlasmaD2O_CisHFDMyr_113 PlasmaD2O_CisHFDMyr_114 PlasmaD2O_CisHFDMyr_115 PlasmaD2O_TransHFD_21 PlasmaD2O_TransHFD_22 PlasmaD2O_TransHFD_23 PlasmaD2O_TransHFD_24 PlasmaD2O_TransHFD_25 PlasmaD2O_TransHFDMyr_51 PlasmaD2O_TransHFDMyr_52 PlasmaD2O_TransHFDMyr_53 PlasmaD2O_TransHFDMyr_54 PlasmaD2O_TransHFDMyr_55 PlasmaD2O_CisHFD_152_MS2_top12 PlasmaD2O_TransHFD_22_MS2_top12 PlasmaD2O_TransHFDMyr_52_MS2_top12 Factors Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD D2O Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin D2O Cer d18:1-d7/15:0 496445120 482349632 466657728 453763584 520661088 556293056 501928736 478491584 503235424 534039136 373103232 409527488 450920512 444880672 428421920 435417952 432429856 498536672 464792384 448135872 Cer d18:1/22:0 312827732.9 496547103.7 322593831.5 366552921.3 374697533.9 28992673.88 105255472.7 91223989.59 105972412 126973438.3 651415526 540431680.3 512077076.3 498620987.3 526570901.2 80381078.52 143042742.5 87666094.74 127003893.8 91575345.59 Cer d18:1/23:0 174573239.6 202229788.9 90765466.62 155350398.7 156300336.3 21009134.3 26843421.7 23810171.5 28225589.13 34477901.58 256135829.8 261288713.7 183451890.8 183482039.5 262404527.7 31944739.55 65508539.87 36063926.47 49736719.52 37696075 Cer d18:1/24:0 399474615.6 443665840.4 253417287.3 305894789.5 381307435.8 53139104.57 70145240.31 75150917.12 79932782.82 89847526.37 679902998.8 590684654.6 460297710.5 446846923.4 615559109.8 90318902.31 157645406.5 99848065.43 130276351.4 92093749.33 Cer d18:1/24:1 513190915.2 637322050.7 254309321.5 443336043 427959563.4 48974972.69 88707806.53 98508448.5 104380286.4 137065691.2 714895217.6 615014963.3 403825203 319725132.4 570563504.7 63651930.79 97603924.93 62818242.1 78960137 79904324.78 DHCer d18:0-d7/13:0 639827200 616258688 556897408 521157536 651127808 610138304 608522304 564407616 600361024 667294848 574244672 589194944 617347200 644891520 600315520 605427712 623050624 715887872 658204992 578097600 DHCer d18:0/22:0 214465481.6 149422865.9 66151604.82 104756704.5 139113990 29070947.1 18234154.9 13557075.53 21682114.81 25683253.53 257376457.5 222698418 203888942.5 230442392.3 228676227.4 28272785.88 58543550.93 31995868.43 38289450.71 36196593.33 DHCer d18:0/23:0 189915391.4 114954268.7 52129235.71 74145002.51 130757175.6 20686876.17 8034703.21 7631007.28 9211976.59 10942418.07 146629648.2 147753835 125008781.9 172774803.3 144248704.7 20392279.65 35843149.11 22860712.13 24352064.67 20287927.69 DHCer d18:0/24:0 251931540.2 153714230 66582719.69 88187871.36 178362196.3 28877089.77 11979835.41 11549910.66 14531638.07 15354691.69 220826724.9 185481670.8 184624547.3 240273594.6 202673767.2 30558501.25 51100142.9 30328511.34 35805581.18 28140886.6 DHCer d18:0/24:1 86023147.5 96577033 29456496.9 59957321.7 74700491.41 10432625 11522312.76 10133768.97 15161024.44 17211913.17 138493580.6 81174342.64 59429144.91 43659393.41 84935838.03 7212463.62 16882459.17 9889061.77 10937727.29 8578733.87 PC 15:0/18:1-d7 3424525312 3191621376 3564247296 3254399232 3540174848 5359330816 4044787200 3977310720 3996068352 4282804480 2207108864 2545928960 2966024960 2911051264 2706253824 3202237952 2984314368 3488564224 3424811776 3403724032 SM d32:1 740389996.7 590930502.1 392892247.8 536650374.6 763893907.9 297909424.4 361182720.3 411906944.4 381234562.9 439056436.3 549622752.4 558926902.4 490601867.4 582857474 553473942.5 455343196.8 623125513.6 417956690 540767448.1 422362703.4 SM d34:0 1384367669 1186894272 644635107.8 927646941.1 1117958011 539380718.3 431022803.8 441485644.6 479863714.4 532751431.5 1071935758 884073842.8 810642252.9 806837867.3 906321834.5 464754962.2 602343859.1 456052919 540645843.4 474055123.4 SM d34:1 21030625166 22358875504 13715827586 17725714162 20415397135 9937839933 9528626984 10733552128 11400972825 10821475670 20550394720 18686203104 16640525717 16554313412 19259788738 10692034564 12625012780 10251721971 11957154338 10551220539 SM d34:2 2894643463 3452898032 2334615110 2979011270 3529387880 734858460 2183809531 2313116164 2440120861 2584883939 3447311228 3387860709 3196233077 3556194891 3782942546 2532127216 3305594540 2526744023 3077860261 2553707474 SM d34:3 8010688.03 11702382.5 9230514.5 10584568.25 14946602.5 1609917.88 5285573.86 8525555 8748784.75 8914749.5 75496424 80291792.12 86197348.43 91282818 84406850 67775233.6 94430575.64 73223202 82475068 71853436 SM d36:1 2647414880 2845616723 1641930194 2317294036 2358320639 1812298942 1297520256 1455015554 1398170788 1642825839 1595277154 1359493244 1147147632 1109286141 1398802750 881647434.8 1023416821 729693429.9 968261749.1 873382984 SM d36:2 1390661769 1549007508 1081487936 1361128815 1490281268 680281440 865242672 955215003.2 991943047.2 1043169342 3935750108 4017029973 3745842547 3430809209 4074876275 2836581268 3370473153 2835635424 3082979119 2835230672 SM d36:3 165818021 199138848 114798780.5 162800475.8 181789776 37905674 84802008.77 92932353.01 100831572.9 100701643 809146240 827511208 836731536.5 827973844 807184812 638709320 715670172.3 613391264 746053836 386450880 SM d38:1 1700060215 2361423959 1855961369 2138747178 2065964366 562747408 1080079188 1096656551 1124868555 1250826931 1946682224 1609625870 1824450472 1714585272 1674198321 750070205.5 1070801705 753305798 1108824292 755829598.6 SM d38:2 266865994.5 333843617.5 289815203 345517467.6 347286465.8 128001071 222813368 261614468.5 258527608.4 270514574.9 630396272 779670240 915457136.5 902635984 775189726.5 484724980 632445760 490589588 657065507.4 501480408.4 SM d38:3 23872046.62 30159348.44 15326599 26114547 28564026.5 10016335.62 13682051 15543388.5 15145877.04 19732238.69 100205884.5 144354897 177386278 174078970 146706097.3 118545360 168013152 132722075 179221460 133136783 SM d40:1 6190927902 8278989749 9582385558 7448982137 8100069678 1550071685 5499819619 4891198508 5744854919 5659645881 9293387933 8314384144 11027577135 9710791857 8591906939 3409807100 4659114074 3526380624 5299359705 3370018026 SM d40:2 3065095327 3522867700 3573275762 3543605936 3616723961 588548296.7 2195689020 2331607399 2191795648 2352910592 5856387384 5791387868 8569568788 7723104796 5803197610 2883237380 4126356078 3006757294 4139711720 3148490567 SM d40:3 141069048 177646460.4 193668431.2 202266150 200084094.6 62176906.09 156970992.5 173562776 158725535.5 181198010 300161348 381570624 565299232 532379960 372107868 320796136 398860832 339174948 444959192 381146984 SM d42:1 4157522908 5338085923 3665286746 3739067772 4539649389 764962552 1588668232 1727591360 1706240285 1683787690 5647896212 5137565832 5058453293 4820709734 5175562461 1778167129 2341324764 1805781040 2500937517 1476661291 SM d42:2 25251888220 24902511628 16112021584 19780002096 21436374792 7832761792 8668811951 9963790776 10399756842 10874135874 22637393200 17587225358 16617464276 13481352197 17920994244 6321540853 7959766016 6108302399 7503106824 6753592732 SM d42:3 2890326112 3211163515 2536068704 3001030858 3095512615 1432275232 2103043642 2336371982 2331543611 2460254200 4279184044 3922941872 4275853308 3346239456 3918364140 1832957487 2187251500 1196625952 2240264412 2135384884 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z Cer d18:1-d7/15:0 531.5477 Cer d18:1/22:0 622.613 Cer d18:1/23:0 636.6288 Cer d18:1/24:0 650.6443 Cer d18:1/24:1 648.629 DHCer d18:0-d7/13:0 505.5278 DHCer d18:0/22:0 624.6288 DHCer d18:0/23:0 638.6444 DHCer d18:0/24:0 652.6597 DHCer d18:0/24:1 650.6445 PC 15:0/18:1-d7 753.6151 SM d32:1 675.5434 SM d34:0 705.5893 SM d34:1 703.5742 SM d34:2 701.5585 SM d34:3 699.5431 SM d36:1 731.6054 SM d36:2 729.5897 SM d36:3 727.5748 SM d38:1 759.637 SM d38:2 757.6223 SM d38:3 755.6053 SM d40:1 787.6685 SM d40:2 785.6532 SM d40:3 783.6374 SM d42:1 815.6999 SM d42:2 813.6843 SM d42:3 811.6681 METABOLITES_END #END