#METABOLOMICS WORKBENCH jgengatharan_20240731_114055 DATATRACK_ID:5069 STUDY_ID:ST003391 ANALYSIS_ID:AN005565 PROJECT_ID:PR002085 VERSION 1 CREATED_ON July 31, 2024, 11:47 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 plasma sphingolipids in Ldlr-/- mice ST:STUDY_SUMMARY We analyzed sphingolipids in the plasma 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 circulating 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 - Plasma_C8_CisHFD_11 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_11.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_12 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_12.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_13 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_13.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_14 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_14.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_15 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_15.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_31 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_31.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_32 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_32.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_33 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_33.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_34 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_34.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFD_35 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFD_35.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_101 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_101.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_102 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_102.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_104 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_104.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_105 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_105.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_141 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_141.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_142 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_142.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_143 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_143.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_144 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_144.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_CisHFDMyr_145 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_CisHFDMyr_145.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_41 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_41.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_42 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_42.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_43 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_43.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_44 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_44.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_45 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_45.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_81 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_81.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_82 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_82.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_83 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_83.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_84 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_84.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFD_85 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFD_85.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_61 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_61.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_62 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_62.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_63 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_63.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_64 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_64.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_65 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_65.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_91 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_91.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_92 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_92.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_93 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_93.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_94 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_94.d SUBJECT_SAMPLE_FACTORS - Plasma_C8_TransHFDMyr_95 Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin RAW_FILE_NAME(Raw file name)=Plasma_C8_TransHFDMyr_95.d #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. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma (100 µl) was spiked with the following internal standards: 20 pmol SP:SAMPLEPREP_SUMMARY sphinganine-d7 (Avanti Polar Lipids, Cat# 860658), deoxysphinganine-d3 (Avanti SP:SAMPLEPREP_SUMMARY Polar Lipids, Cat# 860474), 100 pmol d18:0-d7/13:0 dihydroceramide (Avanti Polar SP:SAMPLEPREP_SUMMARY Lipids, Cat# 330726), 200 pmol d18:1-d7/15:0 ceramide (Avanti Polar Lipids, Cat# SP:SAMPLEPREP_SUMMARY 860681), 100 pmol d18:1-d7/15:0 glucosylceramide (Avanti Polar Lipids, Cat# SP:SAMPLEPREP_SUMMARY 330729), 100 pmol d18:1-d7/15:0 lactosylceramide (Avanti Polar Lipids, Cat# SP:SAMPLEPREP_SUMMARY 330727), 200 pmol sphingosine-d7 (Avanti Polar Lipids, Cat# 860657), and 200 SP:SAMPLEPREP_SUMMARY pmol d18:1/18:1-d9 sphingomyelin (Avanti Polar Lipids, Cat# 791649). 0.5 mL SP:SAMPLEPREP_SUMMARY methanol, 0.5 mL H2O, and 1 mL chloroform were added directly. Samples were SP:SAMPLEPREP_SUMMARY vortexed for 5 min and centrifuged for 5 min at 4 ˚C at 15,000g. The organic SP:SAMPLEPREP_SUMMARY phase was collected and 2 μL of formic acid was added to the remaining polar SP:SAMPLEPREP_SUMMARY phase which was re-extracted with 1 mL of chloroform. Combined organic phases SP:SAMPLEPREP_SUMMARY were dried under nitrogen. After dried extracts for 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 Plasma_C8_CisHFD_11 Plasma_C8_CisHFD_12 Plasma_C8_CisHFD_13 Plasma_C8_CisHFD_14 Plasma_C8_CisHFD_15 Plasma_C8_CisHFD_31 Plasma_C8_CisHFD_32 Plasma_C8_CisHFD_33 Plasma_C8_CisHFD_34 Plasma_C8_CisHFD_35 Plasma_C8_CisHFDMyr_101 Plasma_C8_CisHFDMyr_102 Plasma_C8_CisHFDMyr_104 Plasma_C8_CisHFDMyr_105 Plasma_C8_CisHFDMyr_141 Plasma_C8_CisHFDMyr_142 Plasma_C8_CisHFDMyr_143 Plasma_C8_CisHFDMyr_144 Plasma_C8_CisHFDMyr_145 Plasma_C8_TransHFD_41 Plasma_C8_TransHFD_42 Plasma_C8_TransHFD_43 Plasma_C8_TransHFD_44 Plasma_C8_TransHFD_45 Plasma_C8_TransHFD_81 Plasma_C8_TransHFD_82 Plasma_C8_TransHFD_83 Plasma_C8_TransHFD_84 Plasma_C8_TransHFD_85 Plasma_C8_TransHFDMyr_61 Plasma_C8_TransHFDMyr_62 Plasma_C8_TransHFDMyr_63 Plasma_C8_TransHFDMyr_64 Plasma_C8_TransHFDMyr_65 Plasma_C8_TransHFDMyr_91 Plasma_C8_TransHFDMyr_92 Plasma_C8_TransHFDMyr_93 Plasma_C8_TransHFDMyr_94 Plasma_C8_TransHFDMyr_95 Factors Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Cis HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Genotype:Ldlr-/- | Sample source:Mouse plasma | Group:Trans HFD + Myriocin Cer d7-d18:1/15:0 275738 358276 321375 325323 166516 329373 303046 311645 328514 362833 371097 337944 331123 305856 337563 362678 364949 339662 370186 270668 309377 309511 302685 302192 306494 291144 277024 306914 300522 311961 311116 328636 294242 257115 281316 269888 293612 263989 310195 Cer d18:1/16:0 81971 42762 56733 63464 19483 78018 29597 42105 39480 41454 10802 28631 18277 13218 14417 22411 17990 12679 16787 17433 41361 36300 49212 33195 38727 40936 45049 41877 55447 11339 10801 13969 13113 9781 8789 7658 12339 6412 10784 Cer d18:1/16:1 52363 22937 47079 35495 21988 52375 24327 34788 31994 33201 3483 13226 10850 5805 7789 12428 9625 9589 7303 15099 32440 18458 26442 25194 40599 31877 35168 37240 35127 8564 5554 9813 7096 8389 6310 4064 8931 7059 3555 Cer d18:1/22:0 173400 127064 121286 118253 90235 191098 112034 151419 101985 138845 17619 14738 37056 25208 32994 50759 49443 42444 7517 164723 60357 140778 146555 144717 190906 69249 231298 168659 174878 27926 31494 37982 27984 36766 47758 42484 41141 32762 33257 Cer d18:1/22:1 22299 4652 13729 10064 15144 20673 5459 10138 5890 10843 1048 1113 3193 1889 2037 3303 2793 1611 1202 53018 12330 50526 49286 47256 50950 16624 79533 49174 41424 8542 9284 10578 9500 8987 11727 8826 12755 6394 8852 Cer d18:1/23:0 478415 199785 299239 180658 287764 470103 207046 264602 196713 202432 18006 49269 49046 38448 33831 101881 91995 77768 28923 216795 232087 241060 294518 278692 371745 133408 303201 386171 528668 32585 45771 48261 51127 48593 40732 48132 70112 23453 50599 Cer d18:1/24:0 627832 353623 286038 239155 420114 716390 290489 358089 328214 207591 51985 75125 136388 80553 64528 166930 178857 139559 49734 410659 378593 506586 466474 459419 643919 236975 567002 490418 718506 58432 101020 106703 108365 108535 91501 100757 82365 63938 73618 Cer d18:1/24:1 978707 384654 521174 515658 505534 899595 264503 414712 295866 326325 60186 79453 138328 105828 90219 156018 162151 130409 42689 228851 243079 366125 445152 311769 373529 202414 402646 424204 587721 67692 88051 98222 77726 75572 57175 79190 97514 60702 72379 Cer d18:1/25:0 79105 30564 58232 46606 48802 74540 26474 26423 29231 29889 1998 6340 8375 5257 8054 18828 14829 10423 1540 23050 34902 32106 43609 32475 51680 32553 47862 51570 68380 5886 4938 8564 5515 5338 3878 4700 6276 2232 9287 DHCer d7-d18:0/13:0 3595666 3399424 3441507 3431028 1782453 3356368 3398248 3254459 3356336 3422895 3492133 3365599 3149595 2963044 3212266 3070572 3205517 3298003 3388631 3542732 3240141 3300169 3387165 3293825 3435768 3277690 3492165 3321220 3575604 3358057 3013042 3517350 3080616 2585374 2906727 2983922 3067547 3061714 3097142 DHCer d18:0/22:0 118434 72012 65747 63537 44819 152367 103483 96307 106849 79069 4317 22360 11985 8850 10014 18696 18204 13233 7239 113973 166464 90052 109554 130136 130301 163061 191209 149094 164995 14180 17240 18247 16585 15157 12877 19501 24167 16405 19464 DHCer d18:0/22:1 27820 10765 24383 17276 19628 28004 15614 14500 14360 15422 3320 3724 5369 3046 3618 5339 4125 9803 1588 33516 20327 28163 34923 36034 36368 22565 56607 46009 47904 5152 8611 8202 7543 7754 8180 7522 9451 7319 8588 DHCer d18:0/23:0 186767 107720 114851 114388 96015 224127 137861 114681 144620 122360 2980 23491 11184 7503 16426 16981 17024 14091 8067 144606 181498 119343 127750 131196 175589 234190 217095 182729 199850 10947 14142 21532 17169 17572 14362 14658 24386 13309 17622 DHCer d18:0/24:0 218493 101917 142380 132334 107377 258507 140716 115574 153072 128292 4145 27900 16705 6652 12384 17915 21095 14605 9690 165372 203970 142681 150335 159360 232455 253562 263616 218434 233319 15260 17439 25440 19068 25185 17248 20030 26978 14215 24706 DHCer d18:0/24:1 59813 21668 29125 22495 26726 51278 20795 30711 22899 24361 4024 9349 8930 6751 5000 8816 14250 8936 3046 18520 16857 24323 27017 30368 23874 11388 28903 35494 39992 3323 9048 9135 8504 8489 8371 8742 11414 7999 8464 doxDHCer m18:0/22:0 173180 135072 86931 74593 112339 226066 182040 146468 151845 92525 21769 112421 57827 39636 32149 56959 65855 68933 34504 192655 267213 150807 184087 192989 200368 193569 220062 204776 199531 52243 81349 93934 75709 72765 66415 71481 70184 64534 73005 doxDHCer m18:0/22:1 7123 4518 5981 4969 2519 6288 4236 6712 3941 4809 1763 1383 740 840 1110 1966 1617 2614 63 19546 20914 19764 25050 23034 19492 19120 27220 20535 21849 9042 11057 10091 8237 9384 7388 8958 11180 8258 10792 doxDHCer m18:0/23:0 189084 119591 145995 126941 94694 216522 165971 108661 115941 119504 7099 45650 22498 13315 18924 34613 29747 36916 16108 171822 233033 139036 163323 154931 194396 244992 216403 196534 213370 28989 27482 39357 32811 30786 20751 24643 40497 20882 44664 doxDHCer m18:0/24:0 227449 106141 208912 197890 134552 257419 157264 109671 120721 169509 12616 67260 40524 23427 37367 43093 48328 49305 18961 185163 231654 171873 178843 168699 230548 308486 240436 217751 236914 46080 37710 58806 40188 39289 33817 41614 64317 29012 72586 doxDHCer m18:0/24:1 337567 127038 175048 162773 192121 259642 116198 114211 103051 105157 24911 82721 68275 41015 43631 68936 77049 75130 25120 119785 149264 151721 151971 133421 157400 120424 164317 156576 199450 44062 49324 63906 56485 49377 36911 44241 59485 37723 60755 Gluc-Cer d7-18:1/15:0 51512 58453 53392 59988 32017 62034 58184 48582 51087 49623 50768 71757 51018 52495 54046 52447 60498 53958 58293 59644 57775 57585 58467 55406 53337 65755 57999 52597 57766 66529 48812 61650 51907 36109 45376 50487 53436 52603 56734 Hex-Cer d18:1/16:0 1275737 752515 938542 969329 1076099 1228988 708592 717745 676802 844346 558689 726770 831194 706761 669874 768198 832502 691226 655423 720426 822292 973620 1013140 844679 842921 740021 920023 1037747 1290258 674444 637969 719312 696008 641188 662724 673940 919083 658161 910012 Hex-Cer d18:1/18:1 10132 3337 8891 5257 3349 11253 2945 2865 3911 3879 3110 3131 5249 2625 2327 4076 6033 3299 3060 32200 41779 42510 72563 46128 40296 30663 45280 56888 66373 40763 43944 44072 39114 36962 24128 29695 52760 28050 43867 Hex-Cer d18:1/22:0 169308 119717 153465 126663 110669 178337 110696 118042 108303 136961 43654 26787 79552 56221 66169 101702 78993 62717 17258 194030 67712 175490 148700 187957 214489 73632 230208 163159 188414 60903 63042 61932 61382 71545 55548 56719 71326 35410 64350 Hex-Cer d18:1/23:0 214765 106682 213890 172475 142325 193855 79012 86795 105308 106631 32417 52807 74636 52348 44309 105885 85603 64249 39977 143117 143372 187328 192384 152412 220320 127138 190416 226023 283167 60066 61476 71004 70383 68250 55858 48734 75984 41227 64626 Hex-Cer d18:1/24:0 330776 204934 321093 266084 179378 297879 147180 165929 167520 182031 77825 122576 140289 91565 101633 186151 162611 121531 78957 192302 223308 230838 313822 240459 292009 210095 307560 317988 392450 105526 133683 124228 119702 113724 101424 97134 145657 84121 129983 Hex-Cer d18:1/24:1 417188 198205 321296 270131 313106 370942 188260 187989 191373 211658 138579 206499 221294 171472 120444 215829 191352 151391 145199 180548 172895 237749 236534 222308 218180 188474 236946 264183 298939 142237 160757 183443 169852 161973 130931 147934 190389 138851 182584 Lac-Cer d7-d18:1/15:0 40583 49231 47604 45559 43995 45968 41796 42583 45910 44208 48835 41445 45841 38494 46300 53535 52219 45568 50492 41137 40722 43628 50334 54244 43628 39355 47666 46759 48012 50519 45726 50047 38088 38482 38273 40267 45476 41164 48183 Lac-Cer d18:1/16:0 68268 39953 56798 58320 26520 53416 23432 31574 24608 31769 11531 27882 20247 16791 16195 24340 24258 17477 14346 28131 27077 30251 29775 32477 36313 26015 45727 43828 50420 20478 14734 20533 17162 12395 14908 14763 21596 13074 19001 Lac-Cer d18:1/22:0 1996 1224 1969 2029 1568 1106 1399 2108 3369 2049 2216 1609 2383 1718 1873 2423 2878 3884 2123 1722 2306 3132 3885 2886 2991 1237 2516 2913 2236 3853 4543 2696 2311 3232 1635 3268 Lac-Cer d18:1/24:0 7718 5136 9481 7938 5646 6059 4213 3311 3428 4818 2571 8185 3938 3761 3919 8103 7080 4461 4339 7003 8456 6677 6100 6035 6840 7099 7256 6485 6557 3639 4629 4976 4440 4678 4341 5337 6380 4008 6719 Lac-Cer d18:1/24:1 10505 7160 8739 10223 7608 8574 6574 4867 7496 5137 6874 17013 8656 6378 7780 9117 8540 6546 10201 6364 5842 5918 4477 5387 5090 7194 6200 5640 4314 6564 6340 8718 7544 5804 5668 5004 7983 6746 6909 SM d9-d18:1/18:1 1720326 2725099 2150204 2471240 557204 1906851 2193488 1996667 2398362 2422263 4102523 4165863 3129839 3455834 3092549 2895946 3168374 3038967 5088303 1962010 2629711 2182149 2284119 2002581 1953181 2723797 1796245 1775948 1722445 2663335 2633011 2604074 2547171 2123781 2405485 2264280 2152411 2433463 2439009 SM d32:0 435721 328576 516833 323624 227019 465929 366131 368084 391161 367954 136042 353664 336530 259217 293554 372732 354843 264617 223708 227918 294196 209269 235064 243795 324901 311934 305618 326562 345277 183814 192544 221386 225074 197622 145527 175244 253909 119040 216974 SM d32:1 28518873 16367590 29023243 21203718 12204595 24014626 13841931 17017194 16915252 16417521 5222739 12927414 14415046 10427825 11312990 19128353 16763837 11472971 6326761 11276697 12705280 11783902 13046614 13335752 16672410 13543178 16220555 17370640 18922353 8002198 7318186 9576016 8371946 8090218 4900750 7297601 11228841 4185137 9690278 SM d32:2 718129 427363 788614 567369 450722 595916 342923 426722 377548 450026 158394 192793 361974 248261 279800 428689 378696 281748 99140 852838 802383 744415 815525 924359 942219 861541 984100 984425 960569 603307 575037 728644 583057 596376 415564 523787 816486 398638 725825 SM d32:3 20593 14742 16254 13815 12734 25864 8451 11696 15482 11910 5153 13317 13302 10565 8230 12855 11583 11638 4816 58890 69297 47250 53536 56540 60339 72769 58459 67959 58166 45212 40018 53294 27196 45462 35285 44527 51291 38951 52960 SM d34:0 5958167 6580012 6956490 6768575 1766388 6094743 5587348 5521461 6550443 5925888 4908620 10287103 5224158 5379517 4694980 5937893 5538762 4859289 7000326 4063650 5974870 4527563 4578663 4655206 4584421 7108402 4326429 4537470 4480326 3400834 3632955 3872073 3421012 3826328 2832207 3392135 3958071 3185201 4201134 SM d34:1 127265320 131723546 133379063 133123450 63330038 128340770 117646576 122194848 127278788 126286501 107201661 137048650 116417155 113436753 109797249 124826774 120252355 112126369 115189829 85951170 110037364 97773437 99013512 98580726 104790723 109490125 93669838 105763333 107512421 91172081 87027482 91500160 90595489 93110603 79507424 85613875 95099681 81208505 98025461 SM d34:2 75143053 58829287 73590822 69736354 29603454 71827363 52393320 57249825 56004236 58861235 34160111 30018903 52622560 46768917 49640720 60899163 57982742 49089383 15720941 76571242 65259333 71056250 67621427 73969631 79803708 70518265 82042662 79209296 80263042 59098536 53703401 67174985 54762393 58935562 48906346 52370117 69596730 46845962 65217735 SM d34:3 241245 182441 296762 261776 176828 256285 138644 181620 196496 252188 92859 89412 191619 144235 142862 163362 187157 157248 43568 1692998 1492035 1510780 1465438 1727433 1765008 1601002 1901895 1828625 1740658 1257521 1168050 1586168 1206158 1303504 929370 1096397 1618582 1017874 1474713 SM d34:4 5214 9612 20178 11743 10571 11088 5555 5076 5544 6186 1792 2287 4854 2947 3244 3859 5717 5057 666 60024 62264 61123 60235 63716 63752 64906 68284 69513 66048 46184 47112 58698 46162 49388 37142 47647 54570 43599 57875 SM d36:0 59937 86000 75075 59721 67393 76774 60339 82368 86196 59747 99895 219109 100550 84030 78492 103355 92562 89048 221129 58573 93070 77106 52140 65259 59671 123010 59099 41235 61248 98946 95334 102164 99526 103714 71579 97634 92800 85830 110392 SM d36:1 2912908 4289299 3870031 3363016 2981066 2753943 3370431 2956539 4150085 3279526 5935991 7605986 4665323 5086412 4438993 5208229 5182805 4151609 7220253 886415 1322965 1272318 1192863 1027728 1087575 1116699 961201 998981 1083265 1422211 1359881 1252529 1185589 1602625 820924 1163250 1261058 669096 1156712 SM d36:2 7634592 8675626 8809329 10099912 2231589 7454382 5369917 6277646 6246884 7824624 7265156 9346903 8238172 8090755 7030033 8485350 8737195 7287819 6549790 17170315 29317488 20549833 20004569 20481817 16875165 31654392 16898586 18556772 18152878 22888666 24848328 24784989 22026652 22826023 17290995 19408654 23199442 18565326 24619412 SM d36:3 4547736 3281582 4486504 4540150 1547081 3973649 2088603 3025092 2483231 3776357 1047923 1306232 1916674 1554932 1884693 2335951 2208715 1770997 775395 13082896 14985294 12736098 11984472 14695633 12966271 15247197 13182543 14153744 13742464 12998702 12763153 15338054 11545646 12354431 8600519 10788528 14514795 9112191 13948286 SM d36:4 524520 334594 476221 457170 174280 442145 205344 319448 258725 385643 87519 125419 166375 141463 188560 228615 188732 153057 74457 1287397 1420936 1194421 1179769 1393796 1215334 1595905 1430876 1386970 1362860 1150171 1073570 1332727 1097207 1047585 738295 966832 1301282 803520 1285171 SM d38:1 4398211 10219122 5999670 6447138 3955419 4797057 8356345 7801626 9319912 6651417 6870866 4717346 5777087 5923567 6949136 7329273 6391711 5762799 3634302 7745867 5284528 7075289 5389756 7097526 6611073 6313484 7022273 5723141 5177484 5408186 5034775 5122232 4659547 5235889 3844024 4688038 4698763 3052811 4893874 SM d38:2 485670 686628 670387 575907 506908 443406 598412 604966 681615 686495 647578 511372 622138 619010 519605 728618 561740 449631 604338 1772680 1622074 1812009 1574039 1845379 1505621 2073751 1416123 1321130 1051497 1669328 1865146 1436313 1582167 1527733 1199286 1263318 1339699 1087913 1604908 SM d38:3 12905 15184 21296 15100 10986 10981 9485 10839 17564 14303 25129 34944 19793 31335 15297 19720 19055 12225 33463 137014 154246 109670 108693 134579 114039 220091 125762 115212 70550 326271 285359 255004 328952 274946 151023 154594 173367 165804 228284 SM d40:0 3072448 5100779 2557799 3484999 1227138 3442974 2326679 2588201 2613706 2686415 1140600 805629 944400 1403832 1532888 1659896 1880996 1055187 452762 3749660 1645206 2574733 2191608 3074421 3158466 2546594 3207874 2773321 3354112 950886 592222 1323100 644941 1254005 1069045 1265926 1625016 952964 1115559 SM d40:1 54160862 80463037 57854059 63520093 35246470 59280875 77794850 75083513 73202922 69330632 43908706 19185555 47762126 45988732 61321019 54295298 52373635 53699494 15205376 84080501 51414728 70592120 64907739 75772510 77274854 58388834 76758226 70226409 66381440 43975884 35977473 40238306 38932544 38777565 38057321 38051980 42350923 29560584 42070146 SM d40:2 21964342 30983153 24483639 31236808 17556648 23839350 23540805 25727479 25464126 25842392 14189630 5620416 17691899 16211135 16847693 19742499 17342117 15323926 5011225 41826875 21450349 37838780 29129493 37772041 33284564 29807596 37227203 27695705 22805446 19480902 20432938 18710328 18053290 19812805 17193008 15287721 16676388 13073224 16935650 SM d40:3 283494 463457 534444 518123 306338 402392 546924 554026 544590 508551 684178 448109 573835 666959 429041 596948 522594 624371 474562 1310259 1053747 1377442 867720 1187589 1103631 1207785 1000254 970247 752957 1254762 1409759 1119284 1189774 1328547 994766 969981 933884 888047 1069390 SM d42:0 1183279 1077568 1266191 999369 620454 1184798 672617 582571 698693 877481 208298 276662 381323 290983 324885 282935 454682 342714 204528 1101780 663450 1090286 1007471 1064671 1630724 1014755 1310220 1160746 1014604 205815 201572 289833 302139 277593 294021 320957 279207 207762 302047 SM d42:1 60711467 44839851 69453825 74875746 34815859 43904250 31236291 34114481 29895230 50567841 12318544 11792386 19563683 16320385 27840157 20209286 21627513 23156857 9102589 45305340 41347327 49357669 46823076 39489032 56812204 65757000 56124845 49854376 59784244 19136013 13559504 16670900 14346269 13591900 11564757 12994721 23269693 8724050 20533462 SM d42:2 146092950 136289480 141045892 144584826 96070365 141444441 111844692 120411996 120510643 122640974 90369483 95566732 104299882 100730142 93836296 105673249 109216638 106771966 76690222 120673588 123853814 132339786 123113309 124261187 127681303 135595050 138398702 135707743 142470560 84684969 79876592 93452488 79462704 82553787 74011450 78166738 91389925 71295494 90196963 SM d42:3 47812909 43547804 46812594 54760052 35736843 43390522 35603730 38118829 41235277 43821803 34848891 30412965 39818663 39545851 35060275 39433019 37460881 36478527 22568199 47417498 56494980 53727176 48597366 48104942 45793691 56360915 45645014 46165117 50037031 38551101 37985318 38609714 36374134 36842767 30093092 26370217 30120930 29318893 35189484 SM d44:2 809947 534229 816710 853134 432776 491662 270528 362477 385226 492880 208514 344205 355229 229630 397906 289386 317417 300543 197125 414236 432817 367379 408695 389902 506614 730255 590707 433125 551064 375901 280954 302141 265378 245565 215235 229423 482962 151734 429891 SM d44:3 793161 642715 806792 622030 421999 764369 452844 472689 606030 565567 303957 550360 511348 428619 291191 412362 476122 509967 316974 692950 768431 796898 565343 630134 857643 1055591 679860 854887 904684 695953 452202 735561 516057 567961 371962 581309 917685 501504 905743 SO d18:1 d7 2997190 2422186 3349754 2498326 1469972 2859216 2781890 3111414 3108041 2370305 2423470 3252689 2370007 2132002 2225233 2810225 2931404 2827379 2972563 2479047 1903595 2348755 1957158 3149806 2971763 1906954 2139920 2641477 3746994 2617742 1748123 2438163 2492540 2129757 2145862 2411404 3427538 2345895 2496592 S1P d18:1 187924 169419 97501 120574 198601 103074 69106 68206 98836 70360 91390 82493 96838 52759 61593 86008 66441 86406 43096 79382 65031 94207 81764 57733 85499 64127 97473 71236 93316 78526 65691 61975 57290 45415 49772 60158 70244 50511 67157 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 d18:1/16:1 536.5 264.2 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 Cer d18:1/25:0 664.6 264.2 DHCer d7-d18:0/13:0 505.5 487.5 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 m18:0/22:0 608.6 268.3 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 d18:1/18:1 726.6 264.2 Hex-Cer d18:1/22:0 784.6 264.2 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 d18:1/22:0 946.7 264.2 Lac-Cer d18:1/24:0 974.7 264.2 Lac-Cer d18:1/24:1 972.7 264.2 SM d9-d18:1/18:1 738.6 184.1 SM d32:0 677.5 184.1 SM d32:1 675.5 184.1 SM d32:2 673.5 184.1 SM d32:3 671.5 184.1 SM d34:0 705.6 184.1 SM d34:1 703.6 184.1 SM d34:2 701.6 184.1 SM d34:3 699.6 184.1 SM d34:4 697.6 184.1 SM d36:0 733.6 184.1 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 d38:3 755.6 184.1 SM d40:0 789.7 184.1 SM d40:1 787.7 184.1 SM d40:2 785.7 184.1 SM d40:3 783.7 184.1 SM d42:0 817.7 184.1 SM d42:1 815.7 184.1 SM d42:2 813.7 184.1 SM d42:3 811.7 184.1 SM d44:2 841.7 184.1 SM d44:3 839.7 184.1 SO d18:1 d7 307.3 289.4 S1P d18:1 380.2 264.4 METABOLITES_END #END