#METABOLOMICS WORKBENCH zuo_MUSC_20230803_094635 DATATRACK_ID:4200 STUDY_ID:ST002809 ANALYSIS_ID:AN004567 PROJECT_ID:PR001756 VERSION 1 CREATED_ON August 7, 2023, 1:13 pm #PROJECT PR:PROJECT_TITLE Role of cilia in mitochondrial function PR:PROJECT_SUMMARY Autosomal dominant polycystic kidney disease (ADPKD), the most common PR:PROJECT_SUMMARY potentially lethal genetic disease in humans and the fourth leading cause of PR:PROJECT_SUMMARY kidney disease, exhibits features of both a ciliary and metabolic disorder. Our PR:PROJECT_SUMMARY previous research revealed that cells overexpressing Exoc5 with elongated cilia PR:PROJECT_SUMMARY demonstrate enhanced recovery from oxidative stress. To investigate the PR:PROJECT_SUMMARY connection between primary cilia and metabolism, we conducted an unbiased PR:PROJECT_SUMMARY metabolomics screen. Global metabolic profiling was performed on canine MDCK PR:PROJECT_SUMMARY cells (Control, Exoc5 ciliary targeting sequence mutation (CTS-mut), Exoc5 PR:PROJECT_SUMMARY knockdown (KD), Exoc5 overexpression (OE)) and murine cells (Ift88 knockout PR:PROJECT_SUMMARY (KO), Ift88 rescue). Knockdown (KD) or ciliary targeting sequence mutation PR:PROJECT_SUMMARY (CTS-mut) in Exoc5, a central exocyst component, resulted in cilia loss. PR:PROJECT_SUMMARY Similarly, Ift88 knockout (KO) resulted in cilia loss. For each experimental PR:PROJECT_SUMMARY group, we cultivated six independent replicates of Exoc5 OE, KD, CTS-mut, and PR:PROJECT_SUMMARY control MDCK cells, as well as six independent replicates of murine Ift88 KO and PR:PROJECT_SUMMARY rescue cells. Cell pellets were obtained from the cultures, and we analyzed the PR:PROJECT_SUMMARY global metabolic profiles for all 36 cell pellets. The most significant findings PR:PROJECT_SUMMARY from the metabolomics screen indicated defects in tryptophan metabolism. This PR:PROJECT_SUMMARY discovery suggests a potential link between primary cilia function and PR:PROJECT_SUMMARY tryptophan-related metabolic pathways. Further exploration of these findings may PR:PROJECT_SUMMARY shed light on the underlying mechanisms and implications for ADPKD pathogenesis PR:PROJECT_SUMMARY and metabolic disturbances. PR:INSTITUTE Medical University of South Carolina PR:DEPARTMENT Medicine PR:LAST_NAME Lipschutz PR:FIRST_NAME Josh PR:ADDRESS 96 Jonathan Lucas St, Charleston, SC 29425 PR:EMAIL lipschut@musc.edu PR:PHONE 843-792-7659 #STUDY ST:STUDY_TITLE Role of cilia in mitochondrial function ST:STUDY_TYPE cultured cells ST:STUDY_SUMMARY Autosomal dominant polycystic kidney disease (ADPKD), the most common ST:STUDY_SUMMARY potentially lethal genetic disease in humans and the fourth leading cause of ST:STUDY_SUMMARY kidney disease, exhibits features of both a ciliary and metabolic disorder. Our ST:STUDY_SUMMARY previous research revealed that cells overexpressing Exoc5 with elongated cilia ST:STUDY_SUMMARY demonstrate enhanced recovery from oxidative stress. To investigate the ST:STUDY_SUMMARY connection between primary cilia and metabolism, we conducted an unbiased ST:STUDY_SUMMARY metabolomics screen. Global metabolic profiling was performed on canine MDCK ST:STUDY_SUMMARY cells (Control, Exoc5 ciliary targeting sequence mutation (CTS-mut), Exoc5 ST:STUDY_SUMMARY knockdown (KD), Exoc5 overexpression (OE)) and murine cells (Ift88 knockout ST:STUDY_SUMMARY (KO), Ift88 rescue). Knockdown (KD) or ciliary targeting sequence mutation ST:STUDY_SUMMARY (CTS-mut) in Exoc5, a central exocyst component, resulted in cilia loss. ST:STUDY_SUMMARY Similarly, Ift88 knockout (KO) resulted in cilia loss. For each experimental ST:STUDY_SUMMARY group, we cultivated six independent replicates of Exoc5 OE, KD, CTS-mut, and ST:STUDY_SUMMARY control MDCK cells, as well as six independent replicates of murine Ift88 KO and ST:STUDY_SUMMARY rescue cells. Cell pellets were obtained from the cultures, and we analyzed the ST:STUDY_SUMMARY global metabolic profiles for all 36 cell pellets. The most significant findings ST:STUDY_SUMMARY from the metabolomics screen indicated defects in tryptophan metabolism. This ST:STUDY_SUMMARY discovery suggests a potential link between primary cilia function and ST:STUDY_SUMMARY tryptophan-related metabolic pathways. Further exploration of these findings may ST:STUDY_SUMMARY shed light on the underlying mechanisms and implications for ADPKD pathogenesis ST:STUDY_SUMMARY and metabolic disturbances. ST:INSTITUTE Medical University of South Carolina ST:DEPARTMENT Medicine ST:LAST_NAME Lipschutz ST:FIRST_NAME Josh ST:ADDRESS 96 Jonathan Lucas St, Charleston, SC 29425 ST:EMAIL lipschut@musc.edu ST:PHONE 8437927659 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mouse/canine SU:TAXONOMY_ID 9606 #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 - MUSC-00277 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00278 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00279 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00280 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00281 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00282 Genotype:EXOC5_KO Description=Exoc5 ciliary targeting sequence point mutant MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00283 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00284 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00285 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00286 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00287 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00288 Genotype:EXOC5_KD Description=Exoc5 knockdown MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00289 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00290 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00291 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00292 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00293 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00294 Genotype:EXOC5_OE Description=Exoc5 overexpressing MDCK cells SUBJECT_SAMPLE_FACTORS - MUSC-00295 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00296 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00297 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00298 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00299 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00300 Genotype:WT Description=MDCK wild-type control cells SUBJECT_SAMPLE_FACTORS - MUSC-00301 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00302 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00303 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00304 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00305 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00306 Genotype:IFT88_KO Description=Intraflagellar transport protein 88 (Ift88) null mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00307 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00308 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00309 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00310 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00311 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells SUBJECT_SAMPLE_FACTORS - MUSC-00312 Genotype:IFT88_KO_WT Description=Ift88 rescue mouse cells #COLLECTION CO:COLLECTION_SUMMARY Six independent replicates of Exoc5 OE, KD, CTS-mut, and control MDCK cells were CO:COLLECTION_SUMMARY grown in cell culture in 15 cm dishes. The cells were then washed in PBS, CO:COLLECTION_SUMMARY scraped, and centrifuged to a pellet and snap frozen in liquid nitrogen. CO:COLLECTION_SUMMARY Similarly six independent replicates of murine Ift88 KO and rescue cells were CO:COLLECTION_SUMMARY grown in cell culture, washed with PBS, scraped, centrifuged to a pellet and CO:COLLECTION_SUMMARY snap frozen in liquid nitrogen. CO:SAMPLE_TYPE Cultured kidney cells #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were thawed on ice prior to extraction. Samples were prepared using the SP:SAMPLEPREP_SUMMARY automated MicroLab STAR® system from Hamilton Company. Several recovery SP:SAMPLEPREP_SUMMARY standards were added prior to the first step in the extraction process for QC SP:SAMPLEPREP_SUMMARY purposes. In order to dissociate small molecules bound to or trapped in SP:SAMPLEPREP_SUMMARY proteins, lysate was precipitated with methanol under vigorous shaking for 2 min SP:SAMPLEPREP_SUMMARY (Glen Mills GenoGrinder 2000) followed by centrifugation. The resulting extract SP:SAMPLEPREP_SUMMARY was divided into multiple fractions: two for analysis by two separate reverse SP:SAMPLEPREP_SUMMARY phase (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization SP:SAMPLEPREP_SUMMARY (ESI), one for analysis by RP/UPLC-MS/MS with negative ion mode ESI, one for SP:SAMPLEPREP_SUMMARY analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, and remaining fractions SP:SAMPLEPREP_SUMMARY reserved for backup. Samples were dried under warm nitrogen to remove the SP:SAMPLEPREP_SUMMARY organic solvent. The sample extracts were stored sealed at -80oC if not analyzed SP:SAMPLEPREP_SUMMARY immediately. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH Lipophilic CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:SOLVENT_A 0.1% formic acid and 0.05% PFPA in water, pH ~2.5 CH:SOLVENT_B 0.1% formic acid and 0.05% PFPA in 50% methanol/ 50% acetonitrile, pH ~2.5 CH:FLOW_GRADIENT Linear gradient from 40 % B to 99.5% B over 1.0 minute, hold 99.5% B for 2.4 CH:FLOW_GRADIENT minutes CH:FLOW_RATE 0.60 mL/min CH:COLUMN_TEMPERATURE 65 #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 Proprietary analytical software for integration and peak picking (Metabolon). Normalized raw MS:MS_COMMENTS area counts for each sample are normalized by Bradford protein concentration. MS:MS_COMMENTS Each metabolite is then rescaled to set the median equal to 1. Lastly, missing MS:MS_COMMENTS values are imputed with the minimum. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized/scaled raw area counts MS_METABOLITE_DATA_START Samples MUSC-00277 MUSC-00278 MUSC-00279 MUSC-00280 MUSC-00281 MUSC-00282 MUSC-00283 MUSC-00284 MUSC-00285 MUSC-00286 MUSC-00287 MUSC-00288 MUSC-00289 MUSC-00290 MUSC-00291 MUSC-00292 MUSC-00293 MUSC-00294 MUSC-00295 MUSC-00296 MUSC-00297 MUSC-00298 MUSC-00299 MUSC-00300 MUSC-00301 MUSC-00302 MUSC-00303 MUSC-00304 MUSC-00305 MUSC-00306 MUSC-00307 MUSC-00308 MUSC-00309 MUSC-00310 MUSC-00311 MUSC-00312 Factors Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KO Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_KD Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:EXOC5_OE Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT Genotype:IFT88_KO_WT 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.78 0.7073 0.6834 0.6788 0.6932 0.8482 0.6449 0.7657 0.6122 0.5815 1.0638 0.7066 1.02 1.1411 0.98 1.068 1.2038 1.1738 1.2659 2.1119 2.7457 2.4261 1.5506 1.3069 1.2146 0.9202 0.9871 1.1111 1.0129 1.4694 0.8889 0.7369 0.8621 0.615 1.2404 1.2346 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* 0.9134 0.8442 0.841 0.9552 0.8225 0.8864 1.1773 1.0448 1.1544 1.1338 1.1955 1.2077 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 0.8817 0.8927 0.9293 0.7815 0.7804 0.9704 1.1871 1.1265 0.9373 1.0534 1.4295 1.1703 1.5912 1.2655 1.2252 1.1164 1.0578 1.5201 0.9569 0.9703 1.0296 0.9061 0.858 0.969 0.7746 0.7053 0.7284 0.8068 0.716 0.8066 1.4505 1.1932 1.393 1.3269 1.4712 1.4144 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 0.971 1.2554 0.7988 1.1137 0.9469 1.0466 1.1303 0.9261 1.0634 0.8836 1.029 0.6332 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1.1509 1.0938 0.7703 0.9645 1.0071 1.1884 1.0605 0.9729 1.054 1.2209 1.3735 1.0483 0.8498 0.8558 0.6493 0.7706 0.7622 0.7312 0.8692 1.1655 1.2002 0.9929 1.0807 0.9581 1.0864 0.7625 0.9294 1.0301 0.9699 1.1321 0.8866 1.2486 0.854 0.9028 1.6146 1.3065 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1.0492 0.9014 0.9063 0.7719 0.7489 1.0543 0.8424 0.8182 0.8322 0.7308 1.1677 0.9129 1.971 1.7663 1.6608 1.585 1.4046 1.9731 0.963 1.0173 1.1074 1.0465 0.9532 0.9827 1.1374 0.9923 1.0077 1.0284 0.9874 1.1474 0.9853 0.91 0.9591 0.9468 1.179 1.246 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 0.8557 0.8044 0.7381 0.7432 0.7448 0.8704 0.9507 1.0191 0.9421 0.9303 1.2469 1.0656 1.2334 1.0439 0.9993 1.0081 0.9711 1.2005 1.0007 1.0538 1.1441 1.0958 0.9333 1.0144 0.943 0.7626 0.7948 0.8178 0.7941 0.9815 1.2392 1.0185 1.0398 1.0542 1.3713 1.4513 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 0.6855 0.6167 0.6054 0.4911 0.5191 0.71 0.958 0.9848 0.9261 0.8023 1.2377 1.0152 2.2706 1.8163 1.8356 1.6686 1.6492 1.9785 1.0251 1.0229 1.0645 1.051 0.9529 0.9819 0.9265 0.8684 0.8336 0.8853 0.8217 0.995 1.189 1.0411 1.1339 1.005 1.2603 1.3835 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 0.8957 0.7423 0.8156 0.8144 0.7506 0.8849 1.2628 1.1043 1.1781 1.1469 1.412 1.4693 1-(1-enyl-palmitoyl)-GPC (P-16:0)* 0.5356 0.4148 0.3609 0.3609 0.3609 0.6403 0.3609 0.3609 0.3609 0.3609 0.3609 0.3609 1.0874 1.2101 0.9992 1.0008 1.1499 1.3881 0.8058 1.3211 1.639 1.5806 0.8899 0.8239 1.2844 0.9341 1.0659 0.8749 0.9293 1.1407 0.8526 0.7922 1.1102 0.7948 1.3511 1.2115 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 0.508 0.4905 0.4354 0.4299 0.4412 0.5859 0.6536 0.8088 0.6319 0.6518 1.1211 0.7223 1.2115 1.3606 1.2707 1.3652 1.5291 1.4202 1.0109 1.7082 2.255 1.9101 1.1527 0.9891 0.9605 0.7778 0.8254 0.8261 0.671 1.0587 1.2482 1.0395 1.1226 0.9504 1.5434 1.5735 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 0.9448 0.772 0.8826 0.795 0.7153 0.924 1.1155 1.0349 0.877 0.905 1.2527 1.0877 2.5392 2.0079 1.8482 1.9111 1.7205 2.3724 0.9791 0.9329 0.9231 1.0209 0.9621 1.0404 0.9511 0.8644 0.8319 0.9399 0.8842 0.9885 1.2017 1.0115 1.1683 1.1125 1.29 1.3891 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* 0.9828 0.9264 0.8927 0.8294 0.8417 0.9822 1.0041 1.0224 0.9323 0.9455 1.2657 1.0426 1.2701 1.0306 0.9959 0.958 0.9365 1.14 1.0048 1.0299 1.1243 1.1042 0.9338 1.0278 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1.2094 1.0182 0.4328 0.967 0.9818 1.2138 0.6423 0.6094 1.1076 1.1325 0.8249 0.6466 1.1673 1.6066 0.9236 1.3927 1.3131 1.15 0.6347 1.282 1.6004 0.727 0.6406 0.7264 1.2726 0.8887 1.2043 0.9933 0.8668 1.4755 0.8988 1.0067 0.8814 0.8061 1.1855 1.3478 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.6242 0.519 0.563 0.4473 0.4868 0.5971 0.5943 0.7144 0.6069 0.6337 0.9456 0.6839 1.8823 1.7955 1.7096 1.7552 2.0177 1.8615 1.0544 1.5219 2.1562 1.6656 1.2642 1.2448 1.1482 0.9774 1.0547 0.9898 0.8551 1.3604 0.9633 0.9149 1.0102 0.8746 1.2966 1.314 1,2-dioleoyl-GPC (18:1/18:1) 1.0087 0.9654 0.9048 1.0294 0.9687 1.0831 0.9971 0.8439 1.0029 0.9933 1.109 1.1585 1,2-dioleoyl-GPE (18:1/18:1) 0.8842 0.84 0.8398 0.7582 0.7554 0.9072 1.0368 1.029 0.8355 0.9246 1.2583 1.1147 1.3016 1.0487 0.9614 0.9902 0.8592 1.225 1.0098 1.0157 1.0501 1.0677 0.9353 1.0512 1.0025 0.8612 0.8199 0.9069 0.8754 1.038 1.0934 0.8878 1.013 0.9975 1.1501 1.316 1,2-dioleoyl-GPS (18:1/18:1) 0.9827 0.7363 0.8887 0.824 0.6759 1.0403 1.0337 1.0747 1.0111 0.9889 1.2595 1.5152 1,2-dipalmitoyl-GPC (16:0/16:0) 0.3687 0.3799 0.469 0.3386 0.3691 0.4272 1.5431 1.3538 1.0752 1.287 1.57 1.2658 2.1609 1.8301 1.7288 1.7725 1.6433 2.0567 0.7755 0.7006 0.8182 0.9248 0.7643 0.7576 0.8488 0.781 0.8176 0.8984 0.7777 0.8383 1.3787 1.1016 1.383 1.2747 1.2974 1.4337 1,2-dipalmitoyl-GPE (16:0/16:0)* 0.4881 0.4528 0.6032 0.5158 0.3921 0.4977 0.9966 1.065 0.8211 1.0547 1.3774 1.0174 1.5175 1.2141 1.3158 1.3458 1.5325 1.702 0.8925 0.8493 1.0242 0.9951 1.0034 0.9038 0.8722 0.7274 0.7957 0.7595 0.6875 0.8889 1.383 1.1111 1.3699 1.3861 1.4932 1.6599 1,2-distearoyl-GPC (18:0/18:0) 1.9821 0.9888 0.6862 1.3083 1.075 2.0302 0.9339 0.7952 0.6862 0.6862 0.837 1.0112 1-arachidonoyl-GPI* (20:4)* 0.9231 0.6222 0.9782 0.4944 0.6207 1.1616 1.8954 1.5274 0.795 1.0143 2.6007 2.1294 1.0731 1.0358 1.3771 1.0511 0.9593 1.2285 1.0395 0.8628 0.9123 0.9857 0.9596 0.9742 1.9556 0.8993 0.5394 0.7238 0.5598 0.9885 0.3346 1.6149 3.1282 1.0594 1.9975 1.0115 1-cerotoyl-GPC (26:0)* 0.5897 0.5468 0.5249 0.3518 0.3731 0.6143 0.7036 0.7533 0.6732 0.6513 0.9343 0.7534 2.7931 2.2933 2.0938 2.0286 1.8503 2.4054 1.2332 1.4696 1.3642 1.4267 1.0657 1.1143 1-lignoceroyl-GPC (24:0) 0.5158 0.4493 0.3833 0.322 0.389 0.5577 0.8563 0.7565 0.6411 0.7489 1.0122 0.9878 1.9843 2.1741 1.6584 1.6586 1.6701 1.9232 1.0919 1.3607 1.3196 1.3054 0.9144 1.0816 1.3293 1.0188 1.2267 1.1455 0.9248 1.4838 0.8364 0.7184 0.7032 0.6974 1.0778 0.9812 1-linoleoyl-GPC (18:2) 1.1288 0.775 0.7684 0.5802 0.6283 0.9677 0.8404 0.9643 0.724 0.7717 1.1125 0.9834 1.6166 1.3668 1.1573 0.5802 1.2604 0.5802 1.0166 1.2464 1.7597 1.5766 0.9789 1.2127 1.0709 0.7928 0.9891 1.0326 0.7447 1.3697 0.7762 0.7876 1.0109 0.8771 1.4486 1.3425 1-linoleoyl-GPE (18:2)* 1.0296 0.8765 0.7584 0.6944 0.7794 1.0169 0.7983 0.8306 0.7069 0.7506 1.0689 0.9831 1.1975 1.1821 1.0263 1.0894 1.0349 1.1157 0.9479 1.1216 1.246 1.0927 0.8832 0.9622 2.6788 1.0647 0.2925 0.7107 0.4675 1 0.2925 0.488 1.3402 0.2925 1.3625 0.2925 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1.1041 0.9512 1.0949 0.8549 0.9703 0.8076 1.1262 1.2322 0.8569 1.1883 1.1314 1.3379 1.2408 0.9397 0.9285 0.9033 0.5653 1.1642 1.017 0.9818 1.1151 0.983 0.8309 1.0308 0.8577 0.6725 0.7337 0.7927 0.7032 0.9039 1.3721 1.1248 1.1655 1.0961 1.4652 1.4501 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 0.3102 0.2741 0.3646 0.279 0.2611 0.341 1.3443 1.3764 1.1497 1.31 1.5618 1.5994 1.8962 1.5456 1.3983 1.2937 1.2393 1.7023 0.7241 0.7833 0.8503 0.7918 0.7304 0.7209 0.877 0.8089 0.8707 0.9248 0.832 0.9073 1.2497 1.0752 1.1533 1.1584 1.2198 1.2488 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1.1248 1.0354 1.1347 0.8759 0.8902 1.123 1.1134 1.0861 0.8862 0.9646 1.2694 1.1717 1.1316 0.751 0.7902 0.7112 0.7342 0.9225 1.0649 0.8368 1.0621 0.9349 0.8259 1.0718 0.8333 0.735 0.7689 0.8179 0.6948 0.8876 1.4003 1.1704 1.3702 1.1124 1.545 1.7223 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 0.8678 0.8713 0.7947 1.0198 0.8142 0.9643 1.3635 0.9802 1.2957 1.1931 1.4052 1.4601 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 1.1162 0.8788 1.0356 0.7943 0.7592 1.1876 0.7774 0.9452 0.7759 0.7987 1.0612 0.9793 1.8188 1.6102 1.3159 1.3043 1.1962 1.5936 0.9006 1.0665 1.0158 0.9842 0.7687 0.8925 1.1934 0.9098 1.1506 1.2122 0.9983 1.2942 0.9208 0.7967 0.8884 0.8369 1.0017 1.0582 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 0.9297 0.8462 0.9135 0.9529 0.9612 1.0388 1.1523 0.9353 1.0489 1.1025 1.0981 1.2265 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 0.8596 0.7579 0.7552 0.983 0.7447 0.878 1.2635 1.017 1.0605 1.1717 1.2369 1.2585 1-oleoyl-GPG (18:1)* 0.9769 0.9218 0.854 0.72 0.8664 1.2626 0.9421 1.0052 0.7709 0.8975 1.3002 1.2984 1.9399 1.3046 1.0969 0.6392 0.9399 1.273 1.0826 1.1035 1.3223 0.9778 0.9948 1.3756 2.5275 1 0.5451 0.3463 0.4403 0.8987 0.3463 1.8823 1.8957 0.7746 2.2388 1.0296 1-oleoyl-GPS (18:1) 0.5402 0.5082 0.6184 0.4643 0.4647 0.5269 0.7026 0.839 0.5344 0.6144 1.1864 0.9557 1.0677 1.0552 1.0372 0.9628 1.1201 1.448 1.1935 1.2767 1.6357 1.5887 1.097 1.1992 2.032 1.1061 0.5153 0.7758 0.5264 1.0142 0.3322 1.1362 1.4061 0.7548 1.6077 0.9858 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* 0.8576 0.7916 0.8095 0.8575 0.8165 0.9453 1.2439 1.0547 1.14 1.1755 1.301 1.3484 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* 0.7075 0.617 0.6399 0.718 0.6482 0.7414 1.4557 1.2586 1.3885 1.3891 1.5446 1.508 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 1.048 0.8195 0.9537 0.7786 0.8079 1.1475 1.1092 1.2305 0.8281 1.0824 1.5007 1.2428 1.6125 1.243 1.1062 0.9449 0.8734 1.3135 1.0463 0.8056 0.9249 0.8625 0.8658 0.9473 0.9148 0.7589 0.9056 0.8429 0.7373 0.9199 1.3258 1.1012 1.1787 1.0801 1.4451 1.4992 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1.1587 1.1376 1.1204 0.9855 0.9736 1.2656 1.3974 1.2832 0.9861 1.2256 1.6729 1.5532 0.936 0.6188 0.6699 0.5518 0.6851 0.8076 1.049 0.9695 0.9497 1.0139 0.8746 1.0998 0.6335 0.6112 0.6742 0.6479 0.5526 0.7694 1.5944 1.346 1.3956 1.2306 1.6094 1.8293 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 0.5414 0.5271 0.7752 0.5763 0.3851 0.8378 2.2396 1.7272 1.2513 1.3676 2.2001 2.167 1.8287 1.1799 1.3147 1.0211 0.9874 1.6451 1.0126 0.5842 0.7835 0.9011 0.9117 0.8797 0.7267 0.5877 0.6855 0.6878 0.5906 0.6766 1.282 1.2847 1.2775 1.2733 1.4722 1.7311 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 1.0696 0.9064 1.1366 0.7875 0.7356 1.1717 0.8823 1.0954 0.7563 0.9368 1.2185 1.1673 1.7031 1.4576 1.2241 1.2023 1.0399 1.4491 0.8369 0.9601 0.8591 0.9333 0.7059 0.7286 1.0367 0.7731 0.9915 1.0085 0.8138 1.0131 1.0218 0.8904 0.977 0.8999 1.0945 1.2029 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 0.7549 0.86 0.8977 0.5456 0.7696 0.8431 1.1361 1.3574 1 1.3043 1.6084 1.4749 1.3155 1.0197 1.1356 0.7812 0.7841 0.5456 0.992 0.9211 1.0905 1.1078 0.9003 1.118 0.684 0.6545 0.6662 0.8439 0.7949 0.8114 1.4113 1.1561 1.3499 1.3027 1.3518 1.5359 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* 0.8215 0.6661 0.8127 0.7791 0.6504 0.8394 1.3493 1.1606 1.2235 1.2538 1.6056 1.5954 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.8155 0.7431 0.8002 0.6844 0.6626 0.866 1.0532 1.094 0.9161 0.9902 1.3693 1.2058 1.4214 1.1293 1.0509 0.9774 0.9212 1.3288 0.9897 1.0098 1.0768 1.0434 0.9248 1.0361 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.7347 0.712 0.7778 0.6534 0.6407 0.8264 1.1042 1.0395 0.86 0.977 1.3157 1.0721 1.5851 1.2761 1.2366 1.2296 1.1233 1.5366 0.9406 0.9279 1.0357 1.0008 0.8987 0.9992 0.9356 0.8849 0.8673 0.9643 0.8927 0.9749 1.2548 1.0251 1.2867 1.2302 1.3286 1.4421 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.7661 0.7088 0.7332 0.6547 0.6364 0.7903 1.1511 1.1051 0.8771 1.0061 1.3603 1.2095 1.4026 1.1745 1.0604 1.1226 0.9939 1.3509 0.9539 0.9775 1.0158 1.0651 0.9043 0.9939 0.7648 0.6466 0.66 0.691 0.6452 0.7445 1.5064 1.2352 1.33 1.2997 1.4387 1.6499 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 0.6164 0.5565 0.6428 0.5168 0.5775 0.7682 1.2437 1.243 1.0022 1.1401 1.421 1.2955 1.7463 1.5682 1.4229 1.3276 1.2406 1.639 0.9005 0.9694 0.9978 0.952 0.838 0.9525 0.6799 0.5935 0.609 0.58 0.6147 0.7649 1.2577 1.2351 1.2882 1.2886 1.6109 1.8777 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 0.7796 0.6833 0.7542 0.4673 0.4209 0.5134 1.4604 1.2712 1.2845 1.2204 1.4182 1.5181 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 0.6584 0.6125 0.6667 0.5717 0.5558 0.7086 1.1228 1.1604 1.0111 1.0805 1.4463 1.3938 1.4865 1.2798 1.1151 1.0899 0.9889 1.4693 0.9022 0.9838 1.0583 0.9532 0.8577 0.9717 0.7936 0.713 0.7657 0.7908 0.7344 0.8517 1.3971 1.1483 1.2926 1.3095 1.4041 1.5157 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 0.6354 0.5281 0.7069 0.5134 0.5325 0.6441 1.1599 1.1172 0.9124 0.9945 1.3645 1.1279 3.0466 2.3719 2.5133 2.0686 2.0724 2.8463 0.851 0.8632 1.0055 1.0098 0.8651 0.8876 1.0774 1.0193 0.9905 1.0844 0.9809 1.0095 1.0986 0.8923 0.9394 0.9044 0.9861 1.1157 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 0.901 0.8573 0.8135 1.0344 0.8615 1.0529 1.026 0.8448 1.002 0.998 1.059 1.1499 1-palmitoyl-GPC (16:0) 0.8815 0.6081 0.6597 0.4762 0.5248 0.9627 0.8573 0.937 0.6129 0.8138 0.999 1.001 1.1681 1.1986 1.0494 0.9482 1.014 1.1758 1.0592 1.5376 1.8635 1.7653 1.0431 1.0041 1.0759 0.7483 0.9491 0.8212 0.7184 1.1016 1.158 0.8925 1.0509 0.8692 1.5537 1.5666 1-palmitoyl-GPE (16:0) 0.998 0.8621 0.8013 0.7587 0.8762 1.0918 1.002 1.1645 0.8976 1.0037 1.4528 1.2438 0.8395 0.8261 0.6843 0.717 0.6827 0.8951 1.2127 1.5344 1.8534 1.5537 1.1264 1.3058 0.8917 0.5943 0.8149 0.6665 0.5883 0.9319 1.3313 1.0857 1.224 1.0681 1.6415 1.8534 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.8266 0.7974 0.8236 0.6844 0.7294 0.9053 1.0206 0.9914 0.7818 0.9749 1.2037 0.9553 1.9036 1.4932 1.2961 1.3224 1.1581 1.752 1.084 1.0086 1.1564 0.8833 0.9379 1.0351 1.0284 0.9287 1.0533 1.086 1.0428 0.9568 1.0595 0.8091 1.0008 0.9992 0.9455 0.9187 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.0412 1.0264 0.916 0.8785 0.9066 1.0721 1.0692 0.973 1.0255 0.9847 1.3442 1.1472 1.3362 1.0532 0.9809 1.0423 0.9777 1.1936 0.8761 0.972 1.0153 0.936 0.8054 0.8925 0.966 0.86 0.8958 0.9449 0.8295 0.9822 1.2349 1.0178 1.1134 1.0565 1.2748 1.3391 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1.1721 1.0323 1.0023 0.9977 0.9408 1.4277 1.0286 1.1349 1.0534 1.1796 1.1766 1.1326 1.1433 0.9705 0.7828 1.004 0.8909 0.9092 0.7678 0.8947 0.9301 0.5492 0.561 0.8257 0.9864 0.8255 0.8498 0.9563 0.8943 1.1094 1.1714 1.0136 1.0912 0.9494 1.2337 1.2538 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.9254 0.6283 1.0936 1.0522 0.6759 1.1617 0.9848 1.0373 0.8363 0.9511 1.0152 1.2466 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.8909 0.73 0.7622 0.6234 0.6043 0.8656 0.9073 1.0399 0.8311 0.7763 1.1126 0.9966 1.9974 1.4726 1.502 1.3088 1.2546 1.6338 1.0872 1.0678 1.0505 1.0034 0.9094 0.9617 1.3018 1.086 1.1232 1.1979 1.0876 1.2642 0.8104 0.6025 0.7627 0.6096 0.7602 0.914 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 0.9241 0.9765 0.9559 0.8171 0.795 0.8716 1.1604 0.8962 1.0359 0.8065 1.0801 1.032 1.5155 1.287 1.1922 1.1713 1.2301 1.3476 1.0394 0.949 1.0235 0.857 0.9023 0.9477 0.9575 0.8631 0.8488 0.9332 0.8794 0.9978 1.1035 1.0067 1.141 1.0022 1.1434 1.368 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 0.8984 0.9071 0.6646 0.7954 0.7839 0.8698 1.1531 1.0033 0.8874 1.0554 1.5788 1.5059 1.6129 1.0318 0.9821 0.6846 1.0074 1.3042 0.9475 1.1181 1.1298 0.9967 0.7239 1.0425 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 0.9952 1.0567 0.9689 1.1188 1.0048 1.1445 1.1739 0.8287 0.9865 0.8289 1.0244 0.8644 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.7791 0.677 0.71 0.607 0.6296 0.7951 0.9466 1.0022 0.8431 0.881 1.1905 0.9922 1.919 1.5211 1.4833 1.3307 1.2541 1.7869 0.9978 1.0498 1.1251 1.0759 0.9211 1.0526 1.0827 0.9924 0.9169 1.0061 0.9957 1.1248 1.0043 0.8082 0.8689 0.8496 1.0138 1.105 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.7422 0.7437 0.7537 0.6836 0.6656 0.7081 0.9973 0.9562 0.82 0.8327 1.2059 0.9718 1.6558 1.2445 1.3057 1.2221 1.178 1.6231 1.0288 0.9542 1.0353 1.0543 1.0027 1.0186 1.016 0.9123 0.8031 1.0509 0.9111 1.1153 1.1157 0.92 0.984 0.9141 1.0769 1.1592 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* 0.8575 0.7361 0.7686 0.6878 0.693 0.8377 0.9712 0.9843 0.8684 0.9191 1.1876 1.0421 2.0474 1.8379 1.683 1.5349 1.5423 1.7981 0.9932 1.1979 1.2215 1.0816 0.9691 1.0068 0.8789 0.7256 0.7535 0.6625 0.7554 0.9281 1.0719 1.1178 1.1459 1.1572 1.4931 1.703 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.7662 0.6803 0.6865 0.6543 0.6265 0.8158 1.0129 0.9167 0.817 0.879 1.2337 1.0441 1.5711 1.2314 1.1931 1.1382 1.0901 1.4641 0.9871 0.9746 1.0966 1.0808 0.9332 1.028 1.1192 0.942 1.0241 1.0188 0.9577 1.1389 0.9812 0.889 0.9498 0.9074 1.0556 1.104 1-stearoyl-GPC (18:0) 0.6732 0.4931 0.4727 0.3123 0.4245 0.7001 0.6709 0.7598 0.5844 0.5863 0.9196 0.8745 1.6159 1.4795 1.2747 1.17 1.4194 1.4397 1.2692 1.7924 2.2028 1.9219 1.242 1.0804 1.4087 0.8944 1.0859 1.0472 0.9528 1.3939 0.7563 0.5942 0.6889 0.6283 1.2184 1.1693 1-stearoyl-GPE (18:0) 0.9108 0.7364 0.6326 0.6198 0.6594 0.8536 0.7627 0.8891 0.7688 0.8159 1.1018 0.9089 1.1721 1.125 0.9739 1.0261 1.138 1.0705 1.0923 1.4293 1.7764 1.5885 1.1043 1.2858 1.3473 0.9297 1.1349 1.0112 0.9888 1.4289 0.9761 0.8154 0.8313 0.7318 1.0858 1.2082 1-stearoyl-GPI (18:0) 0.5671 0.3087 0.4732 0.2432 0.3232 0.591 0.6433 0.9051 0.3154 0.5043 0.8254 0.8323 1.3676 1.481 1.4669 1.1988 1.2823 1.58 1.0949 1.3215 1.6801 1.7867 1.457 1.1434 2.1311 1.3093 0.546 0.9388 0.5696 1.2466 0.2357 1.0612 1.4631 0.6902 1.2578 0.6162 1-stearoyl-GPS (18:0)* 0.4112 0.4089 0.5574 0.4137 0.4488 0.4084 0.9022 1.0562 0.6227 0.7551 1.4389 1.2528 1.4853 0.9842 1.0158 0.9437 0.9277 1.2393 1.4474 1.7196 1.9617 1.6888 1.4829 1.5531 3.5537 2.0101 0.9063 1.6399 1.0235 1.7574 0.1899 0.6764 1.1746 0.5804 0.9765 0.4846 3-hydroxydecanoylcarnitine 0.5162 0.6263 0.7095 0.5162 1 1.1112 1.337 1.3231 0.7304 0.9461 1.5969 1.34 4-cholesten-3-one 1.4087 1.3401 1.2119 0.9114 0.9605 1.7822 0.8986 0.8579 0.6458 0.6458 1.1464 1 6-keto prostaglandin F1alpha 0.007 0.007 0.007 0.007 0.007 0.007 0.0958 0.137 0.2346 0.1888 0.3529 0.399 0.8515 1.155 1 0.9415 1.2743 1.7307 1.0182 2.7342 2.4452 2.4219 1.003 2.1388 1.4163 1 1.3741 0.8557 1.3919 1.9002 1.0327 0.8593 0.5724 0.5045 0.5045 0.8302 alpha-tocopherol 1.108 0.9789 0.8249 0.9242 0.8731 1.0812 1.0143 0.9857 1.1137 1.0717 1.1528 0.9512 1.5838 1.507 1.2676 1.5622 1.4403 1.6327 0.7589 0.8209 0.979 0.8222 0.7441 0.8111 0.8353 0.9992 0.8746 1.0379 1.0008 0.8466 1.2885 0.8834 1.2278 1.0737 0.9336 1.1471 arachidonate (20:4n6) 0.4715 0.2342 0.2907 0.2342 0.3067 0.5489 0.666 0.6475 0.4482 0.6961 1 0.6792 1.6753 2.8745 1.8489 2.2168 2.7133 2.6717 0.645 2.0563 2.7926 2.7241 1.2317 1.0936 3.3305 0.9944 0.4381 1.0056 0.5299 0.966 0.4063 2.8775 2.7914 0.8623 1.7406 1.0996 arachidoylcarnitine (C20)* 0.5987 0.5304 0.6038 0.7862 0.6548 0.7168 0.7114 0.7343 0.4313 0.9999 1.0001 0.8732 3.3665 3.3961 2.6132 2.1985 2.2393 2.1214 1.2548 1.5282 1.8025 1.442 1.128 0.9023 0.6894 0.5241 0.7115 0.6807 0.6355 0.775 1.3323 1.232 1.4517 1.225 2.1202 2.0343 behenoyl dihydrosphingomyelin (d18:0/22:0)* 0.7647 0.8142 0.5149 0.6098 0.7082 0.8481 1.264 1.1936 1.3438 1.4819 1.699 1.6194 1.0656 1.2639 0.8431 0.9111 1.1227 1.0486 0.9273 1.3365 1.3428 0.8941 0.7838 0.9514 1.2014 0.8497 1.058 1.1497 0.942 1.2709 0.9212 0.7956 0.9067 0.774 1.3044 1.1677 behenoyl sphingomyelin (d18:1/22:0)* 0.9249 0.8654 0.8906 0.7861 0.7255 0.9929 1.3456 1.2797 0.9482 1.0388 1.6622 1.4114 1.2965 0.8974 1.0061 0.818 0.813 1.303 0.9939 1.074 1.0825 1.1035 0.9619 1.094 1.4242 0.5421 1.3349 0.6 0.5458 1.5939 0.7156 1.2844 0.6105 0.568 1.631 1.6483 behenoylcarnitine (C22)* 0.247 0.247 0.247 0.247 0.247 0.247 0.3426 0.4532 0.247 0.4638 0.5733 0.5665 2.0305 2.5927 1.7914 1.6343 1.4949 1.6353 0.8705 1.1311 1.1295 1.1748 0.8262 0.7494 0.522 0.4239 0.5413 0.6988 0.512 0.5224 1.4139 1.5276 1.7785 1.3012 2.1686 2.3829 bilirubin 1.1444 1.2338 0.9368 0.9933 1.2517 1.8894 0.3058 0.4729 0.2643 0.4154 0.3949 0.2789 1.3555 1.981 1.0067 1.4054 1.2887 1.5222 0.5764 1.0902 1.2678 0.7305 0.6149 0.7094 1.7153 1 1.0001 0.8547 1.1114 1.7444 0.7757 0.7663 0.7663 0.7663 0.7663 0.8591 carotene diol (1) 1.2492 0.9898 0.8274 1.0102 1.0969 1.4145 0.5484 0.5484 0.7056 0.5484 0.5484 0.8478 0.5484 1.3784 0.5484 1.3468 1.1142 0.5484 0.5484 0.8859 0.9204 0.5484 0.5484 0.5484 ceramide (d16:1/24:1, d18:1/22:1)* 1.4021 1.3501 1.1819 1.1977 1.2206 1.6621 0.6812 0.9125 0.773 1.0076 0.9717 0.9924 0.9893 1.0159 0.7642 0.7803 0.7338 0.9418 1.1528 1.3537 1.292 1.0869 0.9056 0.9797 1.0403 0.9597 0.9147 1.0625 0.8838 1.439 1.0637 1.1794 0.9375 0.809 0.8431 1.2078 ceramide (d18:1/14:0, d16:1/16:0)* 1.3308 1.1129 0.9276 1.0126 0.9125 1.0982 1.014 0.8986 0.9692 1.0529 1.0857 0.7728 1.1147 1.1095 0.8666 1.0301 0.9416 1.0521 0.9229 0.9699 1.1522 0.9874 0.9029 0.8427 0.9062 0.5888 0.7562 0.5994 0.6054 0.9689 1.4069 1.3964 1.0614 1.0311 1.2395 1.4689 ceramide (d18:1/17:0, d17:1/18:0)* 1.5128 1.2364 1.1566 1.012 0.9956 1.2818 0.6192 0.6645 0.6314 0.5599 0.7963 0.6229 1.9297 1.6777 1.5913 1.5451 1.371 1.8502 0.9953 0.8698 1.0044 0.8937 0.8789 0.9192 0.9652 0.967 0.7298 1.095 0.926 1.0253 1.3665 1.1588 1.1976 0.9431 0.9747 1.1122 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* 1.1258 0.9814 0.6597 0.879 0.9259 0.9385 0.8746 0.8749 1.0186 1.085 1.1224 0.3518 1.5056 1.8014 1.3934 1.4826 1.5955 1.4425 0.8794 1.1767 1.2483 0.9554 0.8698 0.8863 0.7885 0.6183 0.6999 0.7051 0.5854 0.8478 1.5827 1.5146 1.369 1.1522 1.8105 1.7769 ceramide (d18:2/24:1, d18:1/24:2)* 1.219 0.9752 0.9506 0.8598 0.8728 1.2262 0.6924 0.7373 0.6831 0.6639 0.8328 0.794 1.5004 1.6287 1.1871 1.2652 1.2128 1.5297 1.1235 1.2209 1.2335 1.0248 0.9199 0.9626 cerotoylcarnitine (C26)* 1.081 1.3225 0.8558 0.8727 0.8447 0.9962 0.6225 0.6411 0.6869 0.6225 0.8321 0.6225 1.3093 1.7062 1.0958 1.8093 1.5714 1.4948 0.9611 1.0787 1.1826 0.8199 0.7473 1.0038 1.0723 1.0894 0.9114 1.1367 1 1.1435 0.6795 0.8265 0.6795 0.6795 0.6795 0.8555 cholesterol 1.1183 0.8297 0.9837 0.8439 0.8505 1.2382 0.7519 0.9992 0.8677 0.9556 1.2228 1.0008 1.3955 1.2832 1.0212 0.931 0.9051 1.1924 0.9072 1.0808 1.2518 1.0495 0.9308 1.0013 1.0776 0.9292 1.0022 0.9264 0.9504 1.126 1.0635 0.9677 0.9978 0.9077 1.134 1.2545 cis-3,4-methyleneheptanoylcarnitine 1.2975 1.0663 1.3601 1.2217 1.4114 1.823 0.8458 0.7343 0.6179 0.8457 0.5719 0.5556 1.232 1.1391 0.6041 0.6322 0.6419 1.1142 1.0637 1.0402 0.9598 1.0629 0.9285 0.7888 desmosterol 0.4657 1 1.4032 1.0222 0.4657 1.2493 0.4657 0.4657 0.4657 0.4657 0.6478 0.8397 docosahexaenoylcholine 0.5751 0.6846 0.472 0.6793 0.472 0.6925 1.0987 1.1867 0.8153 1.0016 1 1.1467 2.4529 1.8657 1.7703 1.6945 1.8171 2.1146 0.9011 0.9176 1.1625 0.9804 0.747 0.7852 eicosanoylsphingosine (d20:1)* 0.47 0.4318 0.4187 0.4087 0.3505 0.4131 0.8945 1.0563 0.8097 1.1571 1.2815 1.2898 1.1866 1.1299 0.8986 0.9694 1.0033 1.3386 0.9967 1.185 1.2713 1.0461 0.8904 1.1384 eicosenoylcarnitine (C20:1)* 1.056 1.1308 0.944 1.067 1.3501 1.2557 0.3525 0.3326 0.2727 0.4639 0.4177 0.3671 3.3998 2.9145 1.4591 1.3554 1.0766 1.9188 1.7607 0.6882 0.9402 0.8313 0.883 0.3851 0.9236 0.7507 0.9268 0.8934 0.8742 0.8537 1.2299 1.0732 1.0867 1.0895 2.1521 1.8615 erucoylcarnitine (C22:1)* 0.6084 0.5814 0.7886 1.0724 1 1.1497 0.5098 0.5098 0.5098 0.5098 0.5098 0.5098 1.8784 2.1802 1.3682 0.5098 1.224 0.9684 0.8021 0.7851 1.2907 1.0613 0.5098 0.5882 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* 0.6787 0.7243 1.0563 0.6787 0.807 1.4566 1.0979 1 0.9494 0.9083 1.4676 1.2946 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 1.0267 0.9342 0.8846 0.8083 0.8719 1.1403 0.9152 0.8462 0.7074 0.9381 0.9953 1.0618 1.0454 1.0375 0.7893 0.8196 0.8201 1.0047 1.4385 1.6332 1.6391 1.5013 1.1436 1.4441 0.7248 0.5578 0.6725 0.6378 0.5864 0.8387 1.2826 1.2355 1.1613 1.2702 1.6317 1.6264 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* 1.1514 0.921 1.0982 1.0189 0.9707 1.1008 0.8774 1.0148 0.8211 0.8276 0.9852 1.3992 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* 1.2749 1.0408 0.8854 0.8743 0.9337 1.3843 0.6998 0.923 0.8798 0.9374 0.998 1.0529 1.002 1.0564 0.7955 0.8211 0.8411 0.9517 1.7417 2.1267 3.6868 1.7605 1.45 1.7362 0.8692 0.8022 0.9263 0.8618 0.6155 1.1362 1.2253 1.1384 1.0737 0.7553 1.3527 1.3362 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* 0.829 0.8639 0.6762 0.6941 0.8218 0.9977 0.397 0.394 0.4415 0.409 0.4766 0.4625 1.8485 2.1293 1.5293 1.6827 1.7201 1.7409 1.2093 1.4987 1.4998 1.1715 1.0023 1.2164 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* 0.3198 0.3826 0.4875 0.3788 0.3198 0.492 1.2231 1.4055 1 1.2747 1.3878 1.6772 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1.2033 1.1501 1.1113 1.0042 0.9445 1.4024 0.6088 0.5676 0.4997 0.6271 0.7198 0.6334 1.0367 0.8793 0.8173 0.8585 0.8083 0.9958 1.0972 1.2205 1.492 1.3673 1.0356 1.2347 0.7447 0.7041 0.7173 0.7099 0.6593 0.8247 1.4452 1.1753 1.3254 1.1902 1.5386 1.5547 glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* 0.8799 0.4078 0.762 0.6657 0.5262 0.9824 1.0564 1.0457 1.22 1.0176 1.3363 1.5663 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 1.4924 1.3042 1.1587 1.0197 1.0655 1.5608 0.7085 0.7016 0.6781 0.8026 0.8782 0.8626 0.9883 1.0117 0.7501 0.7794 0.8028 0.9655 1.2076 1.5031 1.5706 1.3379 0.9729 1.3341 0.9956 0.769 0.8965 0.9041 0.7932 0.9319 1.2289 1.1611 1.1061 1.0044 1.4902 1.5341 heme 0.2303 0.2303 0.2377 0.2303 0.3119 0.3044 0.8061 0.77 0.7996 0.8339 1.7129 1.632 2.2434 1.0291 1.7982 1.1891 0.6159 1.5934 0.9709 0.8693 1.2814 1.3114 1.1638 1.0956 1.4219 0.8958 1.1042 0.8374 1.1092 1.2021 0.7525 0.5509 0.693 0.8256 1.5675 1.2511 heptadecasphingosine (d17:1) 0.8912 0.8166 0.7657 0.7332 0.7293 0.9018 0.8671 1.1142 0.9744 1.1582 1.4859 1.3801 1.0256 1.0429 0.7966 0.8878 0.873 1.1236 1.1669 1.2508 1.4664 1.1174 0.9648 1.1768 1.0326 0.6661 0.8425 0.8427 0.7866 1.3533 0.9674 0.9385 1.0809 1.0602 1.5923 1.6992 hexadecasphinganine (d16:0)* 0.7132 0.7172 0.4299 0.549 0.6616 0.7935 1.3101 1.4245 1.5891 2.2313 1.6142 1.8914 0.9218 1.2813 0.6284 0.8937 1.0375 0.8624 0.9625 1.7683 1.888 1.0795 0.8092 1.1516 hexadecasphingosine (d16:1)* 0.6472 0.5774 0.5544 0.5181 0.5326 0.6296 1.0224 1.2398 0.9776 1.3017 1.5421 1.4436 1.0263 1.0268 0.8178 0.9027 0.8991 1.0967 0.8847 1.0839 1.3382 1.1159 0.8549 1.1405 0.9296 0.7463 0.8716 0.8411 0.8101 1.0458 1.035 0.965 1.1467 1.077 1.477 1.5943 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* 1.1073 1.3406 0.9938 1.0742 1.2898 1.2608 0.5812 0.5498 0.5995 0.5151 0.7108 0.631 1.0062 1.0356 0.8794 0.9544 0.9166 0.9556 1.1409 1.3096 1.2781 1.0221 0.9807 1.0562 0.6655 0.5535 0.6265 0.6242 0.5248 0.7889 1.4536 1.3589 1.336 1.2111 1.7016 1.8223 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 1.0081 1.0659 0.9468 0.7811 1.0712 1.2229 0.4775 0.5019 0.4718 0.4459 0.5995 0.5817 1.1569 0.9618 0.9919 0.8423 0.8211 1.0625 1.23 1.3088 1.3892 1.2203 1.0975 1.2251 0.8042 0.6879 0.7841 0.7558 0.6881 0.9294 1.2578 1.1286 1.0706 1.0743 1.2757 1.3531 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1.4085 1.4521 1.1515 1.1806 1.2545 1.5551 0.4492 0.4879 0.5649 0.4007 0.5644 0.4551 1.0564 0.9325 0.9162 0.9649 0.8344 1.0565 1.0247 1.0288 1.1738 1.0586 0.9753 0.9556 0.5277 0.4415 0.4679 0.4397 0.4304 0.5503 1.9171 1.5862 1.4497 1.5537 1.98 2.0894 lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* 1.229 1.5211 1.4539 1.0242 1.2496 1.5153 0.5172 0.4264 0.5338 0.3377 0.5743 0.6377 1.0767 0.9597 0.9981 0.8135 0.7277 1.0724 0.9872 1.0019 1.0235 1.0983 0.916 1.1789 laurylcarnitine (C12) 1.2773 0.704 1 1.3256 1.0854 1.648 0.3872 0.3872 0.3872 0.3872 0.3872 0.3872 0.3872 0.9204 0.3872 0.3872 0.3872 0.3872 0.3872 0.4705 0.3872 0.3872 0.3872 0.3872 lignoceroyl sphingomyelin (d18:1/24:0) 0.957 0.9425 0.7979 0.8974 0.8462 0.9997 0.9491 1.0352 0.9551 1.0003 1.2085 1.0643 1.2588 1.1919 1.0641 1.0304 1.0457 1.193 0.9554 1.1286 1.1836 0.9477 0.8468 0.9756 1.2988 0.9713 1.1366 1.1401 0.9814 1.3976 0.8108 0.8153 0.662 0.6364 1.0787 1.0186 lignoceroylcarnitine (C24)* 0.0575 0.0575 0.0575 0.0575 0.0575 0.0575 0.5343 0.59 0.377 0.5518 0.8051 0.7386 2.3077 2.6357 1.6133 1.8562 1.8973 2.2215 0.9759 1.3106 1.5464 1.2394 1 0.9426 0.5877 0.4947 0.4703 0.653 0.4703 0.6637 1.0606 1 1.0384 1.1715 1.3708 1.1456 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* 1.1385 0.3242 0.9344 0.3242 0.3242 1.0656 0.6174 1.1523 0.7861 0.5399 1.2382 1.1054 linoleoylcarnitine (C18:2)* 0.3404 0.3404 1 0.9173 1.222 0.9511 0.3404 0.3404 0.3404 0.3404 0.3404 0.3404 1.6559 1.6145 1.4638 0.9862 0.6629 1.5269 0.3404 0.3404 0.3404 0.3404 0.3404 0.3404 linoleoylcholine* 0.5895 0.5895 0.5895 0.5895 0.5895 0.5895 1.2729 1.0581 0.8217 0.7185 0.6019 0.5963 3.4201 2.2262 1.1458 1 0.6685 1.305 0.5895 0.5895 0.5895 0.5895 0.5895 0.5895 margaroyl ethanolamide* 1.2741 0.9775 1.2487 0.8959 1.0459 0.9428 0.4819 0.6277 0.4819 0.4819 0.4819 0.5854 0.4819 0.9213 0.4819 0.8154 0.8441 0.4819 1.1649 1.254 1.3857 1.2351 1.0225 1.0654 margaroylcarnitine (C17)* 1.1218 1.4475 1.1339 1.564 1.459 1.8624 0.7479 0.6433 0.3923 0.7005 0.7509 0.5992 3.1238 2.4487 1.7576 1.3921 1.2471 2.2949 0.825 0.8782 0.8227 0.6005 0.5651 0.4591 0.975 0.6519 0.665 0.5478 0.6553 0.6916 1.1996 1.0961 1.025 1.0795 1.6202 1.4774 myristoleoylcarnitine (C14:1)* 1.9688 1.745 1.3348 1.4938 1.0936 2.7087 0.3739 0.5187 0.9064 0.3739 0.3739 0.3739 0.3739 1.7517 0.6351 0.3739 0.3739 0.5627 0.8715 0.3739 0.3739 0.3739 0.3739 0.3767 0.6607 0.6433 0.5302 0.5843 0.4798 0.9303 1.2187 1.2704 1.0697 1.3672 1.9432 1.8342 myristoyl dihydrosphingomyelin (d18:0/14:0)* 0.6626 0.6357 0.6276 0.5317 0.5801 0.7588 1.2236 1.3941 1.0831 1.1263 1.6668 1.5352 1.3079 1.1755 0.9537 1.0047 0.9953 1.1253 0.8777 1.0495 1.1521 0.9402 0.8276 0.8943 1.2588 1.0153 1.0413 1.1965 0.9089 1.2678 0.7129 0.6957 0.708 0.6698 1.0005 0.9995 myristoylcarnitine (C14) 1.0931 0.7419 1 1.0373 1.0194 1.8093 0.3434 0.3434 0.3434 0.3434 0.3434 0.3536 1.1879 0.8835 0.4998 0.3434 0.3434 0.3434 0.3434 0.3434 0.3434 0.3434 0.3434 0.3434 0.7133 0.4882 0.573 0.4801 0.5514 0.6079 1.9243 1.567 1.5661 1.2867 2.8599 2.2924 N-behenoyl-sphingadienine (d18:2/22:0)* 1.3759 0.7438 0.5874 0.749 0.7552 0.6548 0.8411 0.9336 1.1376 0.9394 1.1557 0.9522 2.0562 3.408 2.0794 2.643 2.9297 1.6591 0.7661 1.061 1.309 1.0478 0.8195 0.8868 0.8479 0.4125 0.7818 0.5348 0.4329 0.9454 1.3008 1.7683 1.0546 1.1756 1.9852 1.9127 nervonoyl ethanolamide (24:1)* 0.5517 1.2091 1.2481 1.8283 1.2287 0.7909 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5517 0.5896 0.5873 0.5517 nervonoylcarnitine (C24:1)* 0.0836 0.0836 0.0836 0.0836 0.0836 0.0836 0.2822 0.3957 0.2683 0.3489 0.596 0.5236 1.3203 1.4165 1.0532 0.947 1.0248 1.031 0.9578 1.2432 1.4812 1.3743 1 1.007 N-nervonoyl-sphingadiene (d18:2/24:1)* 1.1491 0.8596 0.9871 1.0139 0.8435 1.3576 1.0437 1.0129 0.8935 0.7643 0.9572 1.0483 N-palmitoyl-phytosphingosine (t18:0/16:0) 1.9484 1.6039 2.3817 1.6422 1.3509 1.8667 1.0453 1.1711 0.5434 0.8377 1.1055 0.9173 1.5305 0.9547 1.1568 0.7339 0.8517 1.4937 0.7159 0.3331 0.5226 0.6762 0.6152 0.5489 N-palmitoyl-sphingadienine (d18:2/16:0)* 1.2787 1.0045 0.9688 0.9415 0.8852 1.1159 0.9421 0.7531 0.8168 0.8331 0.9208 0.6812 1.6546 1.7159 1.2474 1.6541 1.4277 1.4479 1.009 0.9687 1.1545 1.0415 0.9955 0.8845 0.796 0.5569 0.6815 0.5986 0.5576 0.8674 1.4666 1.4401 1.1716 1.1326 1.3056 1.4601 N-palmitoyl-sphinganine (d18:0/16:0) 1.0216 0.9201 1.1436 0.7519 0.8214 0.9943 0.9998 0.9173 0.7261 0.6438 1.0051 0.9212 2.3578 1.8996 1.99 1.5806 1.2525 2.0932 1.0992 0.7447 0.9256 1.0389 1.0002 0.9635 0.8689 0.7354 0.6939 0.9344 0.7842 1.0336 1.4133 1.1588 1.1317 0.9664 1.3882 1.2496 N-palmitoyl-sphingosine (d18:1/16:0) 1.3131 1.1178 1.2024 1.0155 0.9579 1.2453 0.6989 0.6861 0.5263 0.5554 0.819 0.6504 2.0177 1.6438 1.596 1.4595 1.2662 1.7789 0.9777 0.8231 0.9845 1.0598 0.9151 0.9479 0.806 0.7076 0.6887 0.7735 0.7039 0.8519 1.3965 1.2816 1.2314 1.1481 1.3221 1.3158 N-stearoyl-sphingadienine (d18:2/18:0)* 0.9043 0.7807 0.8091 0.7589 0.6593 0.7494 0.7036 0.7718 0.576 0.6537 1.0024 0.8406 1.7303 1.2838 1.2845 1.2355 1.1644 1.4587 1.131 0.9976 1.2866 1.3726 1.2646 1.2544 N-stearoyl-sphinganine (d18:0/18:0)* 0.6635 0.6368 0.551 0.5815 0.6513 0.6585 1.2319 1.2909 1.2563 1.4126 1.7853 1.3861 1.0997 1.1376 0.9358 0.9754 1.017 1.115 0.9032 1.0472 1.1963 0.9434 0.848 0.983 0.8041 0.6054 0.7013 1.0533 0.7948 0.9985 1.3226 1.0015 1.3181 0.9681 1.5514 1.2594 N-stearoyl-sphingosine (d18:1/18:0)* 1.4454 1.2161 0.9468 1.0582 1.0399 1.3425 0.7587 0.8078 0.7638 0.8715 0.9268 0.8118 1.5442 1.6974 1.2817 1.3742 1.3472 1.5484 0.8242 0.9601 1.1074 0.8824 0.7912 0.835 0.986 0.7732 0.759 0.9072 0.7264 1.074 1.1936 1.1158 1.014 0.8778 1.1544 1.1558 octanoylcarnitine (C8) 1.0389 1.0748 0.9348 0.9378 1.0334 1.5527 0.4972 0.4522 0.4522 0.4522 0.4522 0.4522 0.4522 1.1745 0.9867 1.0133 0.4522 0.9265 0.4522 0.4522 0.4522 0.4522 0.4522 0.4522 oleoyl ethanolamide 1.2712 1.0486 1.084 1.1077 1.0958 1.346 0.5887 0.8403 0.6351 0.7282 0.8647 0.7766 0.9611 0.8781 0.6972 0.8203 0.7318 0.773 1.0389 1.2122 1.6118 1.325 1.1436 1.2957 1.2694 1.1576 0.9764 1.2031 1.0543 1.6256 1.0236 0.7875 0.9407 0.7953 0.8074 0.8293 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 0.9045 0.6008 0.67 0.4649 0.5643 0.8337 1.0499 1.0506 0.9764 0.8676 1.2299 1.1396 2.1282 1.7283 1.5708 1.6829 1.4758 1.9991 0.8723 0.8764 1.0236 0.9328 0.8724 1.0713 1.0435 0.9478 0.999 1.0034 0.8862 1.102 1.0522 0.9166 0.9682 0.8582 1.001 1.0672 oleoylcarnitine (C18:1) 1.246 1.3959 1.7146 1.7873 1.8278 2.0369 0.5793 0.6325 0.3599 0.6654 0.5297 0.4989 2.1364 2.1033 1.428 1.183 1.0725 1.4274 0.9275 0.6819 0.9253 0.7482 0.6632 0.6363 0.8762 0.8456 0.7864 0.8209 0.6972 0.692 1.4445 1.1238 1.164 1.3963 2.023 1.5813 oleoylcholine 0.2585 0.3475 0.3222 0.1977 0.2973 0.3656 1.9134 1.5575 1.0036 1.5119 1.2861 0.9964 7.6971 5.3609 3.4893 2.8963 2.2347 2.9635 1.0496 0.6594 0.7741 0.6118 0.6189 0.6356 1.6508 1.3965 0.893 1.0891 1.289 1.2415 0.7498 0.6299 1.0408 0.9592 0.9229 0.9238 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 1.1825 0.9439 0.6609 0.5977 0.6787 1.0726 0.819 1.0669 0.9548 0.8798 0.9675 0.9008 1.6798 1.9232 1.2847 1.9188 1.6399 1.5786 0.8611 1.0325 1.2352 0.9024 0.875 1.0449 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 0.442 0.442 1.0195 0.442 0.6909 0.8836 1.2371 1.3788 0.8559 0.6888 1.3791 1.5617 2.2501 1.2639 2.1509 0.7585 0.7631 2.0754 0.9802 0.6785 0.9235 1.0643 0.9805 1.0897 1.228 0.9592 1.1301 1.0408 0.8843 1.3403 0.9439 1.1009 0.7748 0.7985 0.9561 1.0845 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 0.7432 0.3207 0.5769 0.4098 0.5252 1.1766 0.5239 0.5339 0.3207 0.3207 0.5512 0.5218 2.2426 2.0948 1.7491 1.9191 1.7426 2.1342 1.3116 1.5022 1.3302 0.6414 0.8796 1.1204 0.536 0.6829 1.0492 1.5817 0.6633 1.6653 1.2863 0.9508 1.315 0.624 0.3953 1.6462 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 0.9403 0.6762 0.7244 0.6136 0.7891 1.1556 0.7447 0.9051 0.9186 0.9347 0.954 0.8889 1.9273 1.8709 1.5154 1.6232 1.7283 1.6764 1.0518 1.1902 1.3744 1.0112 0.9888 1.1511 1.1022 0.9415 1.2439 1.3146 0.9648 1.3751 1.0352 0.9498 0.8713 0.6405 0.9624 1.0729 palmitoleoyl ethanolamide* 1.2815 0.89 1 1.0222 1.0323 1.0956 0.9453 0.8196 0.4658 0.5343 0.6074 0.4658 1.1292 0.7383 0.7488 0.9146 0.4658 0.4658 0.9048 1.4358 1.6737 1.1128 1.0127 1.3846 1.0933 1.1423 0.833 1.0769 0.8883 1.2413 1.0487 1.0669 0.897 0.7943 0.9513 0.9033 palmitoleoylcarnitine (C16:1)* 1.6973 1.3788 1.934 1.6879 1.5919 2.5059 0.5638 0.7991 0.5897 0.6321 0.8004 0.71 1.5989 1.7003 1.2045 1.2779 0.989 1.4207 0.9458 0.8888 0.9806 1.011 0.6368 0.8295 0.592 0.5913 0.6547 0.6953 0.5615 0.5971 1.8466 1.4631 1.5678 1.3047 1.8101 1.882 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* 0.9254 0.5934 0.7712 0.6888 0.6223 1.033 1.1964 1.2053 1.0154 0.9846 1.5018 1.4918 palmitoloelycholine 0.1895 0.1895 0.1965 0.1895 0.2326 0.2199 2.1552 1.7231 0.8882 1.7472 1.4408 1.0771 6.7957 4.2791 2.4478 2.2872 1.8935 2.2879 0.9229 0.5674 0.6002 0.4716 0.4695 0.3392 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 0.8398 0.7699 0.7942 0.6283 0.6649 0.8799 1.1253 1.1374 1.0064 0.8794 1.409 1.1217 1.7174 1.3268 1.4134 1.1954 1.3041 1.7507 0.9834 0.9052 1.0452 0.9808 0.9493 0.9936 1.0202 0.919 0.9304 1.1332 0.9803 1.0744 0.9978 0.8152 1.0022 0.9597 1.2801 1.1964 palmitoyl ethanolamide 1.2368 1.0056 1.0583 1.043 0.9944 1.2608 0.6228 0.8579 0.5686 0.7225 0.6951 0.7327 1.116 0.7896 0.6753 0.7728 0.871 0.9696 1.0322 1.0343 1.5095 1.2085 1.1359 1.2047 1.1792 0.8569 0.9946 0.9375 0.8348 1.2964 1.2018 1.0274 1.0152 0.8856 0.972 1.0054 palmitoyl sphingomyelin (d18:1/16:0) 1.0296 0.9485 1.0145 0.8464 0.8439 1.1273 0.7986 0.8712 0.7728 0.7031 1.0012 0.8913 1.6219 1.3083 1.1791 1.133 1.0949 1.5052 0.9811 0.9988 1.0673 0.9788 0.9186 1.008 0.9504 0.9155 0.8924 0.99 0.9396 1.0335 1.1039 0.9284 1.01 1.0534 1.1922 1.204 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 1.0634 0.7724 0.4123 0.7648 0.824 0.8123 1.3136 1.1033 0.9955 1.1871 1.0045 1.6505 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* 0.6741 0.3205 0.5748 0.2713 0.2713 0.4927 1.3591 1.1775 0.2713 0.7888 1.2717 1.398 2.1445 1.5313 1.6041 1.2096 1.0691 2.6585 0.97 0.385 0.5252 0.6282 0.8577 1.03 0.9687 0.9471 0.904 1.0042 0.8641 0.9958 1.2551 1.2191 1.116 0.9763 1.1036 1.3328 palmitoylcarnitine (C16) 1.4905 1.2586 1.1906 1.3119 1.3934 2.0592 0.9387 0.7531 0.4946 0.8483 0.6673 0.7264 2.6815 2.6303 1.5779 1.3338 1.0613 1.4944 0.7559 0.4682 0.5926 0.5492 0.4373 0.4339 0.9178 0.8171 0.9533 0.6222 0.6247 0.5999 1.6969 1.0467 1.2501 1.2804 2.315 1.7185 palmitoylcholine 0.4402 0.4163 0.296 0.3669 0.3676 0.4252 1.0972 1.3709 1.0288 1.2207 1.5944 1.4609 1.0498 0.9942 0.6712 0.8762 0.8133 1.0058 1.0917 1.2567 1.1552 0.9295 0.8591 1.0064 1 0.7218 0.7027 0.9445 1.0245 0.7027 0.7027 0.8125 1.1747 0.7027 1.221 1.2198 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 0.5102 0.3929 0.6565 0.4502 0.4631 0.8103 1.037 1.196 0.963 0.7393 1.328 1.1448 1.7732 2.9859 1.3931 1.493 1.3581 1.9266 0.9336 1.697 0.8251 0.9605 0.8309 1.0463 0.9628 0.9244 0.8381 0.7927 0.6904 1.0466 1.2068 0.9832 1.0572 1.0168 1.2028 1.1788 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 0.6218 0.5545 1 0.5545 0.6216 0.5545 0.9517 0.5545 0.5545 0.5545 0.5545 0.5545 2.6093 1.9432 1.8898 1.7822 0.5545 1.8907 0.665 0.5545 0.5545 0.5545 0.5545 0.5545 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 0.8392 0.6776 0.6853 0.5761 0.7257 0.9899 0.9639 1.0402 0.9031 1.0445 0.9849 1.0729 2.2176 2.2118 1.8015 1.8129 1.657 1.9567 0.9901 1.0467 1.2323 0.8884 0.8103 1.0099 0.8575 0.7558 0.7934 0.7873 0.7132 0.8533 1.4345 1.2877 1.2413 1.1425 1.4971 1.5638 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* 0.821 0.469 0.7012 0.707 0.469 0.5654 1.6895 1.179 1.1954 1.0013 1 1.3247 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) 1.2381 1.1602 1.0292 0.9309 1.0177 1.1436 0.7153 0.8851 0.7853 0.7342 0.9794 0.7133 1.2329 1.0236 0.9236 0.8786 0.8805 1.0786 1.0528 1.0797 1.1062 1.048 0.9213 0.9823 0.9848 1.0152 0.8927 1.1518 0.9115 1.1672 1.3316 0.8054 1.2364 0.708 0.7633 1.6528 pentadecanoylcarnitine (C15)* 1.5942 1.0923 1.1733 1.1439 1.3671 2.8189 0.4905 0.7254 0.4557 0.6107 0.8099 0.794 0.4557 1.8061 1.6704 1.0978 0.9779 1.7909 0.8177 0.9154 0.8434 1.0221 0.6586 0.4557 phytosphingosine 1.4018 1.2129 1.3159 1.1078 1.1307 1.4365 0.9155 1.0653 0.6879 1.0837 1.3385 1.2066 1.121 0.9347 0.8218 0.9031 0.9055 1.1727 0.8053 0.8102 0.8932 0.8387 0.7174 0.8558 0.9052 0.8167 0.8008 0.986 0.9918 1.1113 1.3704 0.9706 1.1552 1.0082 1.206 1.4043 retinol (Vitamin A) 0.4886 0.7911 1.0943 1.0435 1.1599 0.8291 0.3939 0.6394 0.2356 0.6896 0.7923 0.5926 3.1768 2.8662 2.3127 2.366 1.2876 2.3107 0.7404 1.3411 1.2075 0.9185 1.0294 0.9706 0.9044 0.6848 0.8371 0.7793 0.7383 0.9879 1.0934 1.0431 1.1941 1.0121 1.2304 1.2167 sphingadienine 0.8039 0.6372 0.7338 0.7284 0.7431 1.1089 1.0151 0.9849 1.0915 1.0621 1.6488 1.6933 sphinganine 0.7318 0.6485 0.6194 0.5899 0.6106 0.7528 0.9972 1.077 0.8765 1.0986 1.3301 1.2795 1.0615 1.0028 0.848 0.8662 0.8293 1.0532 1.0086 1.1449 1.3061 1.1511 0.9417 1.1789 0.9985 0.8266 0.8062 0.9847 0.8675 1.2563 1.0015 0.8643 1.0789 1.0419 1.3954 1.3898 sphingomyelin (d17:1/14:0, d16:1/15:0)* 0.9148 0.9229 0.758 0.6864 0.8252 1.0939 1.1174 1.2821 1.0081 1.0669 1.6684 1.4405 1.0122 1.0781 0.7478 0.8084 0.8442 0.9328 0.9919 1.1105 1.1581 1.0588 0.8282 0.9409 1.0082 0.9918 1.0332 0.9606 0.8735 1.3586 1.031 0.8465 0.8774 0.7777 1.3218 1.2579 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 0.9415 0.8907 0.9343 0.7616 0.7722 1.1469 0.9502 1.0838 0.8783 0.8705 1.3156 1.1234 1.4927 1.2553 1.1259 1.0497 1.0713 1.2185 0.9048 0.9948 1.1115 1.0052 0.8571 0.8695 1.0686 0.8604 1.033 1.0188 0.8367 1.0883 0.9812 0.9381 0.939 0.9218 1.2381 1.2256 sphingomyelin (d17:2/16:0, d18:2/15:0)* 0.9964 0.8762 0.7698 0.6837 0.9671 1.2839 0.7358 1.0743 0.7701 0.6111 1.2925 1.0155 1.1932 1.5011 1.0036 1.1114 1.0687 1.333 0.9658 1.0765 1.1635 0.9958 0.8241 0.9412 0.9266 0.7876 1.1264 0.9366 0.9873 1.2559 1.4502 0.9983 0.8437 1.0017 1.4801 1.4392 sphingomyelin (d18:0/18:0, d19:0/17:0)* 0.7624 0.7099 0.6568 0.5876 0.6598 0.7715 1.4185 1.4953 1.1587 1.3459 1.8309 1.67 1.4078 1.1176 1.0163 1.0128 0.8178 1.4084 0.9606 0.9872 1.0798 0.9771 0.8921 0.9526 1.285 0.9662 1.0338 1.2569 0.9636 1.3128 0.9264 0.7507 0.8749 0.8042 1.3134 1.3305 sphingomyelin (d18:0/20:0, d16:0/22:0)* 0.64 0.6458 0.5164 0.5156 0.5926 0.7177 1.4797 1.5687 1.3721 1.5506 2 1.9495 1.2489 1.1247 0.9498 0.8833 0.9763 1.2611 1.0029 1.131 1.1159 0.9447 0.9056 0.9971 1.0558 0.8541 0.8644 1.166 0.8548 1.2026 1.0924 0.7967 0.9442 0.8698 1.3376 1.1451 sphingomyelin (d18:1/14:0, d16:1/16:0)* 1.0321 0.8712 0.976 0.8455 0.8465 1.2201 0.9224 0.9713 0.7531 0.7974 1.2858 1.1319 1.3099 1.1547 1.0295 0.8944 0.9821 1.3186 1.0116 1.0561 1.0662 0.9884 0.9132 1.0922 1.1612 0.9486 0.9976 1.0882 0.9079 1.269 1.0024 0.8884 0.9008 0.9644 1.1532 1.1405 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 1.2649 1.1532 1.0824 0.9419 0.9442 1.3307 0.8394 0.8533 0.7124 0.7097 0.9849 0.8694 1.4136 1.0864 1.0815 1.0494 1.1288 1.4511 0.904 0.9941 1.1428 0.9405 0.8506 1.0059 1.0897 1.054 0.97 1.1221 1.0058 1.0748 0.7694 0.6348 0.8326 0.7212 0.9942 1.0163 sphingomyelin (d18:1/18:1, d18:2/18:0) 0.9173 0.8663 0.9054 0.786 0.7569 1.02 0.9961 1.0784 1.0287 0.8587 1.2896 1.1312 1.7259 1.4557 1.3423 1.3547 1.2102 1.6616 0.9207 0.9935 1.0039 0.92 0.894 0.9366 1.0952 1.0026 1.0292 0.8847 0.9974 1.1379 0.9786 0.8482 0.7401 0.9185 1.0388 1.1046 sphingomyelin (d18:1/19:0, d19:1/18:0)* 0.8971 0.9278 0.8237 0.7585 0.7183 1.033 1.5352 1.8193 1.4341 1.4374 1.6141 1.9698 1.0879 0.8664 0.7857 0.775 0.7986 0.9782 0.9346 1.0445 1.1581 0.8036 1.0218 1.1011 sphingomyelin (d18:1/20:0, d16:1/22:0)* 0.8447 0.7805 0.8961 0.6568 0.6042 0.8432 1.5855 1.6655 1.236 1.1801 1.9804 1.6684 1.2612 0.9186 0.974 0.8098 0.8148 1.2379 1.0958 0.9857 1.0143 1.1946 0.9612 1.0248 0.784 0.7697 0.6712 0.856 0.7732 0.8483 1.5599 1.144 1.2491 1.3425 1.582 1.6513 sphingomyelin (d18:1/20:1, d18:2/20:0)* 0.6832 0.6047 0.5359 0.5423 0.4885 0.7676 1.3826 1.2325 1.2 1.0363 1.7181 1.2997 1.2114 1.0485 0.7538 0.881 0.7994 1.1557 0.9817 0.9103 1.0185 0.9881 1.0151 1.0119 0.774 0.7237 0.7063 0.4894 0.707 0.8891 1.3585 1.2165 1.248 1.1109 1.3868 1.8884 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* 0.8304 0.8621 0.821 0.683 0.7355 1.0575 1.3764 1.4923 1.0408 1.2915 1.8544 1.7828 1.0137 0.8634 0.7977 0.7037 0.7376 1.0445 0.9574 1.0199 1.0971 0.9905 0.8635 1.0095 1.0003 0.743 1.0126 0.9997 0.745 1.2476 1.0994 0.9951 0.9012 0.7557 1.3842 1.3588 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 1.0506 0.9325 0.7998 0.797 0.8066 1.1264 1.1121 1.1824 1.0884 0.966 1.3971 1.229 0.8567 0.7752 0.6351 0.6763 0.6388 0.8238 1.034 1.128 1.2241 1.0738 0.9509 1.0377 0.8076 0.6858 0.703 0.6845 0.6776 0.8533 1.3631 1.1467 1.2891 1.2867 1.4481 1.5662 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 0.8006 0.8581 0.7525 0.406 0.7987 0.9836 1.0956 1.4364 1.1864 1.2714 1.7395 1.0164 0.406 0.406 0.406 0.406 0.406 0.406 1.1005 1.4286 1.5166 0.8611 0.7814 0.8493 1.1639 0.8334 0.8169 0.9043 0.839 1.1027 1.0203 1.2902 0.9797 0.8235 1.3354 1.3534 sphingomyelin (d18:1/24:1, d18:2/24:0)* 0.6778 0.6528 1.1591 0.6078 0.5826 0.799 1.2213 1.1455 0.5973 0.6145 1.4818 1.3057 1.4096 0.8872 1.1084 0.7484 0.7429 1.3937 1.2829 0.7591 0.8916 1.373 1.2193 1.4064 1.0374 1.2414 0.9626 1.3353 1.2281 1.1394 1.0573 0.6802 0.896 0.8093 0.8528 0.89 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* 0.8766 1.0026 0.9974 0.8573 0.8403 1.3049 1.2361 1.4405 0.9762 0.9875 1.5129 1.7638 0.9271 1.0396 0.761 0.6583 0.7841 0.9019 1.2621 1.4918 1.2951 1.1763 0.94 1.2252 2.0082 0.8958 1.8277 1.0002 0.8606 2.5555 0.5702 0.9998 0.5717 0.5069 1.1742 1.2521 sphingomyelin (d18:2/14:0, d18:1/14:1)* 0.8188 0.6836 0.7131 0.5836 0.6964 1.006 0.8628 1.0234 0.7904 0.6539 1.1998 1.1833 1.1653 1.3091 0.9512 0.8507 1.0479 1.1545 1.0145 1.3003 1.4098 0.994 0.8642 1.0326 1.0257 0.7963 0.8824 0.884 0.8762 1.1438 1.172 0.9346 1.0476 0.9743 1.4596 1.431 sphingomyelin (d18:2/16:0, d18:1/16:1)* 0.9037 0.7301 0.8529 0.7505 0.744 1.0892 0.8248 0.8786 0.7066 0.698 1.1603 0.9914 1.8642 1.747 1.5114 1.3033 1.4756 1.8754 1.0086 1.1024 1.0544 0.9643 0.9106 1.0735 0.9368 0.7972 0.8659 0.9016 0.7643 1.0769 1.1066 1.0022 0.9978 1.0521 1.3076 1.2976 sphingomyelin (d18:2/21:0, d16:2/23:0)* 0.599 0.6435 0.2983 0.4076 0.5472 0.7044 1.4776 1.6154 1.3336 1.1589 1.9899 1.8077 0.5038 0.4052 0.2983 0.2983 0.4932 0.48 1.0456 0.9544 1.1216 1.1369 1.1159 1.0714 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 1.0423 1.0437 0.9758 0.8398 0.8862 1.2602 1.0333 1.0847 0.9315 0.8885 1.3644 1.2587 0.7809 0.7044 0.586 0.5836 0.6074 0.7843 1.0242 1.1693 1.23 1.1202 0.9306 1.0368 1.4502 1.0351 1.3571 1.2036 0.9405 1.6732 0.8068 0.763 0.6389 0.5444 1.0454 0.9649 sphingomyelin (d18:2/23:1)* 0.8042 0.7065 0.5781 0.6811 0.7325 0.7166 1.152 1.1118 1.0667 0.695 1.4126 1.3678 0.699 0.5781 0.5781 0.5781 0.5781 0.5781 1.1187 1.0898 1 1.4272 0.9823 1.1924 1.1337 0.863 1.0708 1.0005 0.8069 1.11 0.9995 0.9981 0.8204 0.7713 1.164 1.2365 sphingomyelin (d18:2/24:1, d18:1/24:2)* 1.0148 0.8728 0.8097 0.8371 0.8175 1.0905 0.9852 1.0687 1.1055 0.8974 1.2755 1.1141 0.9683 0.9603 0.7247 0.839 0.8163 0.9597 1.2772 1.4699 1.5197 1.3177 1.1948 1.2644 1.0618 0.9924 0.9327 0.9991 1 1.0904 1.0974 1 0.9322 0.9035 1.2189 1.2384 sphingomyelin (d18:2/24:2)* 1.1348 0.6414 0.6414 0.6414 0.6414 0.6414 0.6414 1.1558 0.6414 0.6414 0.6414 0.6414 0.6414 0.6414 0.6414 0.6414 0.6414 0.9072 0.9437 1.7324 1.8372 0.9485 0.9859 1.0141 1.919 0.5937 1.3179 0.953 1.0739 1.0287 1 0.7935 0.6725 1.1186 0.5937 0.6179 sphingosine 1.0668 1.0383 0.9117 0.8425 0.8424 0.9904 0.6431 0.833 0.6341 0.7339 1.0291 0.9845 1.2846 1.0814 0.9604 1.0096 0.9814 1.2958 1.0602 1.1386 1.2913 1.1172 0.9782 1.2171 0.9359 0.7755 0.811 0.8731 0.8707 1.1953 1.0501 0.9499 1.1416 1.0514 1.4371 1.6065 stearoyl ethanolamide 1.2836 0.9829 1.0171 0.9186 1.0412 1.2663 0.5027 0.6696 0.4761 0.5858 0.7475 0.7042 1.0738 1.1577 0.779 0.8661 0.8276 0.9558 1.3638 1.4733 1.7308 1.2576 1.1753 1.2833 1.3728 1.0589 1.1776 1.2333 1.207 1.3607 0.9243 0.9116 0.8427 0.7867 0.9411 0.8965 stearoyl sphingomyelin (d18:1/18:0) 0.9044 0.9114 1.0135 0.6336 0.7819 1.0015 1.3168 1.1342 1.0685 1.039 1.575 1.2091 1.1333 1.0367 0.8616 0.9796 0.9985 1.1312 0.9702 0.9106 0.9894 1.0081 0.9644 0.9707 0.984 0.9969 0.8576 1.0675 1.0031 0.9736 1.0432 0.7317 1.073 0.9897 1.0111 1.1306 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 1.0294 0.5297 0.6457 0.527 0.7599 0.9237 0.8194 0.8379 0.9362 1.0643 1.0913 1.0761 1.4708 2.1255 1.4012 1.7956 1.4899 1.5458 0.9706 1.0525 1.0853 0.7574 0.7408 0.8215 1.1619 0.8861 1.1262 1.1434 1.0652 1.3441 0.7815 0.8889 0.6215 0.7657 1.0667 0.9348 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 1.1201 0.6115 0.6321 0.3514 0.4802 1.1079 1.0228 1.0688 0.9286 0.9772 1.1745 1.4219 1.6136 1.4215 1.383 1.2873 1.3274 1.7766 0.8752 0.8858 0.9314 0.7968 0.7301 0.9243 1.2288 1.012 1.2323 1.3834 1.0912 1.2819 0.8814 0.777 0.7703 0.7869 0.9173 0.988 stearoylcarnitine (C18) 1.3014 1.2204 1.0321 1.4875 1.4743 1.8782 0.4627 0.4628 0.3064 0.5463 0.4878 0.4349 2.9582 2.9026 1.5468 1.5824 1.2459 1.5908 0.9679 0.6608 0.8014 0.6176 0.6503 0.4024 0.818 0.8131 0.9668 0.8857 0.7544 0.8331 1.4123 1.0332 1.1285 1.3064 2.3053 1.8549 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* 1.5668 1.4433 1.4576 1.4418 1.1908 1.4484 0.8092 0.6479 0.6471 0.6032 0.6005 0.7551 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* 0.8527 0.654 0.7819 0.5196 0.6131 0.7112 0.9875 1.103 0.7908 0.7551 1.021 1.1069 2.0025 1.8298 1.6299 1.4056 0.7786 1.9465 0.9845 1.032 1.2679 1.0125 0.8645 1.1106 tricosanoyl sphingomyelin (d18:1/23:0)* 0.9891 0.8764 0.7305 0.8409 0.8889 1.0221 1.0531 1.0217 1.0872 1.1607 1.3553 1.2496 1.1251 1.1572 0.8408 0.9755 0.9999 0.991 0.9114 1.2115 1.2748 0.9333 0.8123 1.0001 1.8548 0.8709 1.6366 1.0798 0.8941 1.9755 0.735 0.9202 0.608 0.5989 1.3109 1.2548 X - 23641 0.7946 0.9128 1 1.2658 1.065 1.1907 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 0.1461 X - 23782 1.228 0.9359 1.046 0.8311 0.928 1.1098 0.4677 0.597 0.6255 0.4941 0.6487 0.5152 1.8819 1.7288 1.4729 1.8677 1.9932 1.8579 0.773 0.9736 1.1017 1.0812 1.0264 0.8693 0.7808 0.7641 0.7678 0.7983 0.7195 1.0143 1.6986 1.5254 1.121 0.9857 1.1205 1.1026 X - 24035 1.0059 0.9197 0.8683 1.1361 0.8484 0.9474 1.0358 1.0201 0.9941 0.9393 1.1765 1.2487 X - 26108 0.416 0.3944 0.606 0.5669 0.3944 0.4454 1.1732 1 1.0799 1.0817 1.4205 1.2087 ximenoylcarnitine (C26:1)* 0.4085 0.4085 0.4085 0.4085 0.4085 0.4085 0.4085 0.4085 0.4085 0.4085 0.5025 0.4437 1.2108 1.0896 0.641 0.9689 1.0011 1.1497 1 1.3487 1.5172 1.0946 0.8738 0.7243 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER PATHWAY SUB PATHWAY COMP ID PLATFORM CHEMICAL ID RI MASS PUBCHEM CAS KEGG HMDB 1-(1-enyl-oleoyl)-GPE (P-18:1)* Lipid Lysoplasmalogen 44621 LC/MS Pos Late 100005372 1566 464.3136 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)* Lipid Plasmalogen 52689 LC/MS Pos Late 100009014 2200 766.5745 HMDB0011220 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* Lipid Plasmalogen 52673 LC/MS Pos Late 100009002 2300 724.5276 52925126 HMDB0011352 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* Lipid Plasmalogen 52682 LC/MS Pos Late 100009009 2300 742.5745 24779386 HMDB0011211 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* Lipid Plasmalogen 52677 LC/MS Pos Late 100009069 2400 700.5276 52925127 HMDB0011343 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* Lipid Plasmalogen 52478 LC/MS Pos Late 100009007 2550 744.5902 34779384 HMDB0007996 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* Lipid Plasmalogen 52477 LC/MS Pos Late 100009005 2750 702.5432 52925128 HMDB0011342 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* Lipid Plasmalogen 52713 LC/MS Pos Late 100009160 2218 716.5589 52923882 HMDB0011207 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* Lipid Plasmalogen 52716 LC/MS Pos Late 100009162 2550 718.5745 11146967 HMDB0011206 1-(1-enyl-palmitoyl)-GPC (P-16:0)* Lipid Lysoplasmalogen 52474 LC/MS Pos Late 100002875 1547 480.3449 10917802 HMDB0010407 1-(1-enyl-palmitoyl)-GPE (P-16:0)* Lipid Lysoplasmalogen 39270 LC/MS Pos Late 100003000 1558 438.2979 HMDB0011152 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* Lipid Plasmalogen 52475 LC/MS Pos Late 100008999 2550 752.5589 9547058 HMDB0005779 1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)* Lipid Plasmalogen 52748 LC/MS Pos Late 100009225 2750 728.5589 HMDB0011376 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) Lipid Plasmalogen 52614 LC/MS Pos Late 100008919 3100 730.5745 42607457 144371-68-6 HMDB0011375 1-(1-enyl-stearoyl)-GPE (P-18:0)* Lipid Lysoplasmalogen 39271 LC/MS Pos Late 100003001 1649 466.3292 1,2-dioleoyl-GPC (18:1/18:1) Lipid Phosphatidylcholine (PC) 52457 LC/MS Pos Late 100008905 2420 786.6007 10350317 4235-95-4 HMDB0000593 1,2-dioleoyl-GPE (18:1/18:1) Lipid Phosphatidylethanolamine (PE) 52609 LC/MS Pos Late 100008906 2535 744.5538 9546757 768593 HMDB0009059 1,2-dioleoyl-GPS (18:1/18:1) Lipid Phosphatidylserine (PS) 19191 LC/MS Pos Late 1533 2800 788.5436 6438639 6811-55-8 HMDB12390 1,2-dipalmitoyl-GPC (16:0/16:0) Lipid Phosphatidylcholine (PC) 19130 LC/MS Pos Late 100000657 2450 734.5694 452110 63-89-8 D03585 HMDB0000564 1,2-dipalmitoyl-GPE (16:0/16:0)* Lipid Phosphatidylethanolamine (PE) 57341 LC/MS Pos Late 100009204 2498 692.5225 445468 HMDB0008923 1,2-distearoyl-GPC (18:0/18:0) Lipid Phosphatidylcholine (PC) 19132 LC/MS Pos Late 100000660 2950 790.632 94190 816-94-4 HMDB0008036 1-arachidonoyl-GPI* (20:4)* Lipid Lysophospholipid 34214 LC/MS Pos Late 100001654 1500 621.3034 121596217 HMDB0061690 1-cerotoyl-GPC (26:0)* Lipid Lysophospholipid 61505 LC/MS Pos Late 100015772 1990 636.4963 HMDB29205 1-lignoceroyl-GPC (24:0) Lipid Lysophospholipid 49617 LC/MS Pos Late 100002873 1907 608.465 24779481 325171-59-3 HMDB0010405 1-linoleoyl-GPC (18:2) Lipid Lysophospholipid 34419 LC/MS Pos Late 100001395 1465 520.3398 11988421 C04100 HMDB0010386 1-linoleoyl-GPE (18:2)* Lipid Lysophospholipid 36600 LC/MS Pos Late 100001570 1482 478.2928 52925130 HMDB0011507 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* Lipid Phosphatidylcholine (PC) 53195 LC/MS Pos Late 100009139 1950 754.5381 24778634 HMDB0007883 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) Lipid Phosphatidylcholine (PC) 19258 LC/MS Pos Late 100000672 2250 706.5381 129657 69525-80-0 HMDB0007869 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* Lipid Phosphatidylethanolamine (PE) 55041 LC/MS Pos Late 100009219 2200 766.5381 348281223 HMDB0009069 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* Lipid Phosphatidylinositol (PI) 54994 LC/MS Pos Late 100010951 2568 902.5753 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* Lipid Phosphatidylcholine (PC) 52697 LC/MS Pos Late 100009130 2100 832.5851 24778955 HMDB0008123 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* Lipid Phosphatidylethanolamine (PE) 53209 LC/MS Pos Late 100009220 2119 790.5381 52922113 HMDB0009078 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* Lipid Phosphatidylethanolamine (PE) 52687 LC/MS Pos Late 100009078 2270 742.5381 9546753 HMDB0005349 1-oleoyl-GPG (18:1)* Lipid Lysophospholipid 45968 LC/MS Pos Late 100005716 1628 511.3029 1-oleoyl-GPS (18:1) Lipid Lysophospholipid 19260 LC/MS Pos Late 100000630 1555 524.2983 85036846 326589-90-6 HMDB0061694 1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)* Lipid Phosphatidylcholine (PC) 52458 LC/MS Pos Late 100008983 2155 758.5694 1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)* Lipid Phosphatidylethanolamine (PE) 52469 LC/MS Pos Late 100008995 2325 716.5225 52924899 HMDB0009056 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) Lipid Phosphatidylcholine (PC) 52462 LC/MS Pos Late 100008914 2200 782.5694 10747814 35418-58-7 C05208 HMDB0007982 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* Lipid Phosphatidylethanolamine (PE) 52464 LC/MS Pos Late 100008990 2250 740.5225 9546800 C05210 HMDB0005323 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* Lipid Phosphatidylinositol (PI) 52467 LC/MS Pos Late 100008993 2567 876.5597 HMDB0009789 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) Lipid Phosphatidylcholine (PC) 52610 LC/MS Pos Late 100008915 2055 806.5694 6441886 59403-54-2 HMDB0007991 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* Lipid Phosphatidylethanolamine (PE) 52465 LC/MS Pos Late 100008991 2160 764.5225 9546799 HMDB0008946 1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)* Lipid Phosphatidylcholine (PC) 54812 LC/MS Pos Late 100009154 2110 756.5538 24778699 HMDB0007974 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) Lipid Phosphatidylcholine (PC) 42446 LC/MS Pos Late 1537 2160 758.5694 5287971 40811-94-7 HMDB0007973 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) Lipid Phosphatidylcholine (PC) 52461 LC/MS Pos Late 1539 2450 760.5851 6436017 26853-31-6;26853-31-6 C13875 HMDB0007972 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) Lipid Phosphatidylethanolamine (PE) 19263 LC/MS Pos Late 1526 2600 718.5381 5283496 26662-94-2 HMDB0005320 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* Lipid Phosphatidylinositol (PI) 52669 LC/MS Pos Late 100009066 3140 854.5753 71296232 HMDB0009783 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) Lipid Phosphatidylserine (PS) 19261 LC/MS Pos Late 1531 2660 762.528 5283499 40290-44-6 C13880 HMDB0012357 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* Lipid Phosphatidylcholine (PC) 52470 LC/MS Pos Late 100008984 2200 732.5538 6443788 HMDB0007969 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) Lipid Phosphatidylcholine (PC) 52616 LC/MS Pos Late 100008921 2750 762.6007 24778686 59403-51-9 C03889 HMDB0007970 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* Lipid Phosphatidylethanolamine (PE) 57388 LC/MS Pos Late 100009205 2850 720.5538 5326793 HMDB08925 1-palmitoyl-GPC (16:0) Lipid Lysophospholipid 33955 LC/MS Pos Late 100001263 1525 496.3398 86554 17364-16-8 C04102 HMDB0010382 1-palmitoyl-GPE (16:0) Lipid Lysophospholipid 35631 LC/MS Pos Late 100001567 1544 454.2928 9547069 53862-35-4 HMDB0011503 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) Lipid Phosphatidylcholine (PC) 42450 LC/MS Pos Late 100001869 2400 810.6007 16219824 35418-59-8 HMDB0008048 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) Lipid Phosphatidylethanolamine (PE) 52447 LC/MS Pos Late 100008977 2475 768.5538 5289133 C05210 HMDB0009003 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) Lipid Phosphatidylinositol (PI) 52449 LC/MS Pos Late 100000616 3000 904.591 383907-33-3 HMDB0009815 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) Lipid Phosphatidylserine (PS) 52235 LC/MS Pos Late 100001872 2565 812.5436 24779545 HMDB0012383 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) Lipid Phosphatidylcholine (PC) 52611 LC/MS Pos Late 100008916 2300 834.6013 24778876 59403-52-0 HMDB0008057 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* Lipid Phosphatidylethanolamine (PE) 52466 LC/MS Pos Late 100008992 2375 792.5538 9546798 HMDB0009012 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) Lipid Phosphatidylinositol (PI) 52468 LC/MS Pos Late 100008994 3185 880.591 HMDB0009809 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) Lipid Phosphatidylserine (PS) 53009 LC/MS Pos Late 100000642 2689 788.5436 9547091 322647-11-0 1-stearoyl-2-oleoyl-GPC (18:0/18:1) Lipid Phosphatidylcholine (PC) 52438 LC/MS Pos Late 100008904 2644 788.6164 24778825 56421-10-4 HMDB0008038 1-stearoyl-2-oleoyl-GPE (18:0/18:1) Lipid Phosphatidylethanolamine (PE) 42448 LC/MS Pos Late 100001856 2950 746.5694 9546742 HMDB0008993 1-stearoyl-2-oleoyl-GPI (18:0/18:1)* Lipid Phosphatidylinositol (PI) 52726 LC/MS Pos Late 100009181 3711 882.6066 1-stearoyl-2-oleoyl-GPS (18:0/18:1) Lipid Phosphatidylserine (PS) 19265 LC/MS Pos Late 100000639 3000 790.5593 9547087 HMDB0010163 1-stearoyl-GPC (18:0) Lipid Lysophospholipid 33961 LC/MS Pos Late 100001271 1606 524.3711 497300 19420-57-6 HMDB0010384 1-stearoyl-GPE (18:0) Lipid Lysophospholipid 42398 LC/MS Pos Late 100001461 1626 482.3241 9547068 69747-55-3 HMDB0011130 1-stearoyl-GPI (18:0) Lipid Lysophospholipid 19324 LC/MS Pos Late 100000656 1700 601.3347 71581135;42607495 796963-93-4 HMDB0240261 1-stearoyl-GPS (18:0)* Lipid Lysophospholipid 45966 LC/MS Pos Late 100004327 1634 526.314 74819135 HMDB0061698 3-hydroxydecanoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 63358 LC/MS Pos Late 100021141 961 332.2432 121454166 HMDB0061636 4-cholesten-3-one Lipid Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 91477 601-57-0 C00599 HMDB0000921 6-keto prostaglandin F1alpha Lipid Eicosanoid 20476 LC/MS Pos Late 100000571 926 353.2323 5280888 58961-34-8;58962-34-8 C05961 HMDB0002886 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.3782 86472 59-02-9;10191-41-0 C02477 HMDB0001893 arachidonate (20:4n6) Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Pos Late 229 1640 305.2475 444899 506-32-1 C00219 HMDB0001043 arachidoylcarnitine (C20)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57513 LC/MS Pos Late 100015833 1512 456.4047 53477833 HMDB0006460 behenoyl dihydrosphingomyelin (d18:0/22:0)* Lipid Dihydrosphingomyelins 57331 LC/MS Pos Late 100009026 3300 789.6844 44260132 HMDB0012091 behenoyl sphingomyelin (d18:1/22:0)* Lipid Sphingomyelins 48492 LC/MS Pos Late 100006294 3250 787.6688 44260125 HMDB0012103 behenoylcarnitine (C22)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57514 LC/MS Pos Late 100015832 1561 484.436 71464577 HMDB0062468 bilirubin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.2708 5280352 635-65-4 C00486 HMDB0000054 carotene diol (1) Cofactors and Vitamins Vitamin A Metabolism 57635 LC/MS Pos Late 100015966 1720 568.4276 ceramide (d16:1/24:1, d18:1/22:1)* Lipid Ceramides 57437 LC/MS Pos Late 100015727 3850 620.5976 ceramide (d18:1/14:0, d16:1/16:0)* Lipid Ceramides 57432 LC/MS Pos Late 100015735 2477 510.4881 ceramide (d18:1/17:0, d17:1/18:0)* Lipid Ceramides 57434 LC/MS Pos Late 100015737 3055 552.5351 ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* Lipid Ceramides 57440 LC/MS Pos Late 100015755 3920 594.582 ceramide (d18:2/24:1, d18:1/24:2)* Lipid Ceramides 57443 LC/MS Pos Late 100015744 3858 646.6133 cerotoylcarnitine (C26)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57516 LC/MS Pos Late 100015835 1649 540.4986 53477828 HMDB0006347 cholesterol Lipid Sterol 63 LC/MS Pos Late 266 2707 369.3516 6432564;11025495;5997 57-88-5 C00187 HMDB0000067 cis-3,4-methyleneheptanoylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 64389 LC/MS Pos Late 100021728 845 286.2013 desmosterol Lipid Sterol 6065 LC/MS Pos Late 306 2364 367.3359 439577 313-04-2 C01802 HMDB0002719 docosahexaenoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53263 LC/MS Pos Late 100009333 1378 414.3367 eicosanoylsphingosine (d20:1)* Lipid Sphingosines 57597 LC/MS Pos Late 100015870 1443 328.321 eicosenoylcarnitine (C20:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57519 LC/MS Pos Late 100015838 1484 454.3891 erucoylcarnitine (C22:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57525 LC/MS Pos Late 100015841 1535 482.4204 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* Lipid Hexosylceramides (HCER) 57457 LC/MS Pos Late 100015730 3373 782.6505 glycosyl ceramide (d18:1/20:0, d16:1/22:0)* Lipid Hexosylceramides (HCER) 57595 LC/MS Pos Late 100015882 3414 756.6348 glycosyl ceramide (d18:1/23:1, d17:1/24:1)* Lipid Hexosylceramides (HCER) 57448 LC/MS Pos Late 100015751 3667 796.6661 glycosyl ceramide (d18:2/24:1, d18:1/24:2)* Lipid Hexosylceramides (HCER) 57453 LC/MS Pos Late 100015745 3380 808.6661 glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1/24:1(2OH))* Lipid Hexosylceramides (HCER) 57444 LC/MS Pos Late 100015752 3839 826.6767 glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Hexosylceramides (HCER) 57421 LC/MS Pos Late 100015625 3420 782.6505 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Hexosylceramides (HCER) 53013 LC/MS Pos Late 100009272 2623 700.5722 glycosyl-N-stearoyl-sphinganine (d18:0/18:0)* Lipid Hexosylceramides (HCER) 57418 LC/MS Pos Late 100015694 3134 730.6192 6321364 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) Lipid Hexosylceramides (HCER) 52234 LC/MS Pos Late 100001882 3053 728.6035 heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1767 26945 14875-96-8 C00032 HMDB0003178 heptadecasphingosine (d17:1) Lipid Sphingosines 57427 LC/MS Pos Late 100015724 1377 286.2741 5283557 6918-48-5 hexadecasphinganine (d16:0)* Lipid Sphingolipid Synthesis 57544 LC/MS Pos Late 100015865 1300 274.2741 656816 C13915 hexadecasphingosine (d16:1)* Lipid Sphingosines 57428 LC/MS Pos Late 100015723 1289 272.2584 14767871 lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* Lipid Lactosylceramides (LCER) 57422 LC/MS Pos Late 100015623 3842 946.7189 44260143 HMDB0011594 lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* Lipid Lactosylceramides (LCER) 57370 LC/MS Pos Late 100015620 3778 972.7346 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Lactosylceramides (LCER) 53010 LC/MS Pos Late 100009030 2527 862.625 53477895 4201-62-1 lactosyl-N-stearoyl-sphingosine (d18:1/18:0)* Lipid Lactosylceramides (LCER) 54980 LC/MS Pos Late 100010945 2906 890.6563 10260120 HMDB0011591 laurylcarnitine (C12) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 34534 LC/MS Pos Late 100001392 1235 344.2795 168381 25518-54-1 HMDB000225 lignoceroyl sphingomyelin (d18:1/24:0) Lipid Sphingomyelins 57330 LC/MS Pos Late 100006298 3437 815.7001 60037-60-7 lignoceroylcarnitine (C24)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57515 LC/MS Pos Late 100015834 1603 512.4673 linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]* Lipid Diacylglycerol 54955 LC/MS Pos Late 100010922 2590 658.5405 9543796 HMDB0007257 linoleoylcarnitine (C18:2)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 46223 LC/MS Pos Late 100003151 1430 424.3421 6450015 36816-10-1 HMDB0006469 linoleoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57463 LC/MS Pos Late 100015760 1388 366.3367 53481656 HMDB0013213 margaroyl ethanolamide* Lipid Endocannabinoid 57542 LC/MS Pos Late 100015863 1714 314.3054 14455158 margaroylcarnitine (C17)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57512 LC/MS Pos Late 100004054 1424 414.3578 53477803 106182-29-0 HMDB0006210 myristoleoylcarnitine (C14:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 48182 LC/MS Pos Late 100006051 1316 370.2947 129691961 889848-55-9 HMDB0240588 myristoyl dihydrosphingomyelin (d18:0/14:0)* Lipid Dihydrosphingomyelins 57365 LC/MS Pos Late 100009038 2060 677.5592 44260138 HMDB0012085 myristoylcarnitine (C14) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 33952 LC/MS Pos Late 100001270 1350 372.3108 6426854 18822-89-4 HMDB000506 N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Ceramides 57372 LC/MS Pos Late 100015624 3911 620.5976 nervonoyl ethanolamide (24:1)* Lipid Endocannabinoid 57536 LC/MS Pos Late 100015857 2153 410.3993 nervonoylcarnitine (C24:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57531 LC/MS Pos Late 100015846 1602 510.4517 N-nervonoyl-sphingadiene (d18:2/24:1)* Lipid Ceramides 57442 LC/MS Pos Late 100015699 3858 646.6132 N-palmitoyl-phytosphingosine (t18:0/16:0) Lipid Dihydroceramides 62881 LC/MS Pos Late 100019761 2632 556.5299 10506988 HMDB0010697 N-palmitoyl-sphingadienine (d18:2/16:0)* Lipid Ceramides 57416 LC/MS Pos Late 100015609 2490 536.5037 N-palmitoyl-sphinganine (d18:0/16:0) Lipid Dihydroceramides 52604 LC/MS Pos Late 100009028 3090 540.535 5283572 5966-29-0 HMDB11760 N-palmitoyl-sphingosine (d18:1/16:0) Lipid Ceramides 44877 LC/MS Pos Late 1518 2893 538.5194 5283564 24696-26-2 HMDB0004949 N-stearoyl-sphingadienine (d18:2/18:0)* Lipid Ceramides 57417 LC/MS Pos Late 100015632 2846 564.535 132282053 N-stearoyl-sphinganine (d18:0/18:0)* Lipid Dihydroceramides 1759 LC/MS Pos Late 922 3526 568.5663 5283573 2304-80-5 N-stearoyl-sphingosine (d18:1/18:0)* Lipid Ceramides 54979 LC/MS Pos Late 1547 3392 566.5507 5283565 104404-17-3 HMDB0004950 octanoylcarnitine (C8) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33936 LC/MS Pos Late 100001247 950 288.2169 11953814;123701 3671-77-0 C02838 HMDB0000791 oleoyl ethanolamide Lipid Endocannabinoid 38102 LC/MS Pos Late 1137 1661 326.3054 5283454 11-58-0;111-58-0 HMDB0002088 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* Lipid Diacylglycerol 54961 LC/MS Pos Late 100010937 2990 660.5562 9543786 HMDB0007228 oleoylcarnitine (C18:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 35160 LC/MS Pos Late 100001501 1423 426.3578 6441392 38677-66-6 HMDB0005065 oleoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.3523 59040790 HMDB0240596 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] Lipid Diacylglycerol 46798 LC/MS Pos Late 100002989 3115 636.5562 14275396 106292-55-1 HMDB0007219 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] Lipid Diacylglycerol 46799 LC/MS Pos Late 100002990 3223 636.5562 71433693 104346-53-4 HMDB0007219 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* Lipid Diacylglycerol 54945 LC/MS Pos Late 100010918 3571 638.5718 9543716 HMDB0007218 oleoyl-oleoyl-glycerol (18:1/18:1) [2]* Lipid Diacylglycerol 54946 LC/MS Pos Late 100010919 3695 638.5718 9543716 HMDB0007218 palmitoleoyl ethanolamide* Lipid Endocannabinoid 57541 LC/MS Pos Late 100015862 1546 298.2741 9835868 HMDB0013648 palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 53223 LC/MS Pos Late 100009406 1357 398.3265 71464547 palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]* Lipid Diacylglycerol 52631 LC/MS Pos Late 100009054 3154 610.5405 71768100 palmitoloelycholine Lipid Fatty Acid Metabolism (Acyl Choline) 53257 LC/MS Pos Late 100009334 1385 340.321 palmitoyl dihydrosphingomyelin (d18:0/16:0)* Lipid Dihydrosphingomyelins 52434 LC/MS Pos Late 100008954 2290 705.5905 9939965 HMDB0010168 palmitoyl ethanolamide Lipid Endocannabinoid 38165 LC/MS Pos Late 1489 1643 300.2897 4671 544-31-0 C16512 HMDB0002100 palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingomyelins 37506 LC/MS Pos Late 100002107 2168 703.5749 9939941 6254-89-3 HMDB0010169 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* Lipid Diacylglycerol 54957 LC/MS Pos Late 100010924 2916 634.5405 9543736 HMDB0007112 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]* Lipid Diacylglycerol 54958 LC/MS Pos Late 100010925 3015 634.5405 9543736 HMDB0007112 palmitoylcarnitine (C16) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 44681 LC/MS Pos Late 100000776 1425 400.3421 461 6865-14-1 C02990 HMDB0000222 palmitoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.3367 151731 HMDB0240592 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* Lipid Diacylglycerol 52634 LC/MS Pos Late 100009055 3197 610.5405 131801744 HMDB0007103 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* Lipid Diacylglycerol 54943 LC/MS Pos Late 100010916 3562 612.5562 5282283 C13861 HMDB0007102 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* Lipid Diacylglycerol 54942 LC/MS Pos Late 100010917 3695 612.5562 5282283 C13861 HMDB0007102 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* Lipid Diacylglycerol 54990 LC/MS Pos Late 100010948 3734 586.5405 644078 HMDB0007098 palmitoyl-sphingosine-phosphoethanolamine (d18:1/16:0) Lipid Ceramide PEs 62984 LC/MS Pos Late 100021162 2207 661.5279 pentadecanoylcarnitine (C15)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57522 LC/MS Pos Late 100015842 1362 386.3265 123132011 HMDB0062517 phytosphingosine Lipid Sphingolipid Synthesis 1510 LC/MS Pos Late 469 1367 318.3003 122121 554-62-1 C12144 HMDB0004610 retinol (Vitamin A) Cofactors and Vitamins Vitamin A Metabolism 1806 LC/MS Pos Late 498 1636 269.2264 445354 68-26-8 C00473 HMDB0000305 sphingadienine Lipid Sphingolipid Synthesis 57426 LC/MS Pos Late 100015643 1350 298.2741 6449795 25696-03-1 sphinganine Lipid Sphingolipid Synthesis 17769 LC/MS Pos Late 313 1413 302.3054 3126 3102-56-5 C00836 HMDB0000269 sphingomyelin (d17:1/14:0, d16:1/15:0)* Lipid Sphingomyelins 62152 LC/MS Pos Late 100020276 1950 661.5279 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* Lipid Sphingomyelins 52433 LC/MS Pos Late 100006314 2082 689.5592 121999-58-4 sphingomyelin (d17:2/16:0, d18:2/15:0)* Lipid Sphingomyelins 57483 LC/MS Pos Late 100015793 1875 687.5436 sphingomyelin (d18:0/18:0, d19:0/17:0)* Lipid Dihydrosphingomyelins 57473 LC/MS Pos Late 100009027 2500 733.6218 44260130 HMDB0012087 sphingomyelin (d18:0/20:0, d16:0/22:0)* Lipid Dihydrosphingomyelins 57476 LC/MS Pos Late 100015786 2850 761.6531 sphingomyelin (d18:1/14:0, d16:1/16:0)* Lipid Sphingomyelins 42463 LC/MS Pos Late 100004328 1998 675.5436 11433862 HMDB0012097 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) Lipid Sphingomyelins 52615 LC/MS Pos Late 100008920 2350 717.5905 46891763 121999-64-2 sphingomyelin (d18:1/18:1, d18:2/18:0) Lipid Sphingomyelins 37529 LC/MS Pos Late 100002106 2167 729.5905 6443882 108392-10-5 HMDB0012101 sphingomyelin (d18:1/19:0, d19:1/18:0)* Lipid Sphingomyelins 57475 LC/MS Pos Late 100015787 2550 745.6218 sphingomyelin (d18:1/20:0, d16:1/22:0)* Lipid Sphingomyelins 48490 LC/MS Pos Late 100006290 2800 759.6375 44260124 HMDB0012102 sphingomyelin (d18:1/20:1, d18:2/20:0)* Lipid Sphingomyelins 48491 LC/MS Pos Late 100006292 2450 757.6218 222403-67-0 sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)* Lipid Sphingomyelins 52495 LC/MS Pos Late 100009025 3000 773.6531 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* Lipid Sphingomyelins 48493 LC/MS Pos Late 100006295 2775 785.6531 HMDB0012104 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* Lipid Sphingomyelins 57477 LC/MS Pos Late 100006296 2350 783.6375 sphingomyelin (d18:1/24:1, d18:2/24:0)* Lipid Sphingomyelins 47153 LC/MS Pos Late 100005986 3200 813.6844 44260126 94359-13-4 HMDB0012107 sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)* Lipid Sphingomyelins 57478 LC/MS Pos Late 100015792 3500 829.7157 sphingomyelin (d18:2/14:0, d18:1/14:1)* Lipid Sphingomyelins 47154 LC/MS Pos Late 100005985 1860 673.5279 sphingomyelin (d18:2/16:0, d18:1/16:1)* Lipid Sphingomyelins 42459 LC/MS Pos Late 100004329 2002 701.5592 sphingomyelin (d18:2/21:0, d16:2/23:0)* Lipid Sphingomyelins 57480 LC/MS Pos Late 100015790 2500 771.6375 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* Lipid Sphingomyelins 52435 LC/MS Pos Late 100008956 3000 799.6687 134757653 sphingomyelin (d18:2/23:1)* Lipid Sphingomyelins 57482 LC/MS Pos Late 100015791 2500 797.6531 sphingomyelin (d18:2/24:1, d18:1/24:2)* Lipid Sphingomyelins 52437 LC/MS Pos Late 100008957 2750 811.6687 85336023 sphingomyelin (d18:2/24:2)* Lipid Sphingomyelins 57479 LC/MS Pos Late 100015789 2400 809.6531 sphingosine Lipid Sphingosines 17747 LC/MS Pos Late 297 1393 300.2897 5280335 123-78-4 C00319 HMDB0000252 stearoyl ethanolamide Lipid Endocannabinoid 38625 LC/MS Pos Late 100002254 1787 328.321 27902 111-57-9 HMDB0013078 stearoyl sphingomyelin (d18:1/18:0) Lipid Sphingomyelins 19503 LC/MS Pos Late 1538 2450 731.6062 6453725 85187-10-6;85187-10-6 C00550 HMDB0001348 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* Lipid Diacylglycerol 57450 LC/MS Pos Late 100010949 3404 662.5718 6438587 C00165 HMDB0007170 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* Lipid Diacylglycerol 57449 LC/MS Pos Late 100010950 3522 662.5718 6438587 HMDB0007170 stearoylcarnitine (C18) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 34409 LC/MS Pos Late 100001391 1485 428.3734 3006797 18822-91-8 HMDB0000848 stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]* Lipid Diacylglycerol 57368 LC/MS Pos Late 100015617 3256 686.5718 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* Lipid Diacylglycerol 54947 LC/MS Pos Late 100010921 3762 638.5718 tricosanoyl sphingomyelin (d18:1/23:0)* Lipid Sphingomyelins 52436 LC/MS Pos Late 100008955 3350 801.6844 HMDB0012105 X - 23641 49517 LC/MS Pos Late X - 23782 49681 LC/MS Pos Late X - 24035 52064 LC/MS Pos Late X - 26108 64397 LC/MS Pos Late ximenoylcarnitine (C26:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57517 LC/MS Pos Late 100015836 1607 538.483 METABOLITES_END #END