#METABOLOMICS WORKBENCH liyue9104_20250120_224819 DATATRACK_ID:5552 STUDY_ID:ST003720 ANALYSIS_ID:AN006102 PROJECT_ID:PR002309 VERSION 1 CREATED_ON 02-21-2025 #PROJECT PR:PROJECT_TITLE CD9-dependent extracellular vesicles mediate the propagation of ferroptosis PR:PROJECT_SUMMARY Ferroptosis is a form of regulated cell death that is mediated by accumulation PR:PROJECT_SUMMARY of lipid peroxides. Emerging evidence suggests that ferroptosis as a PR:PROJECT_SUMMARY cell-autonomous event can propagate to surrounding cells. Although a detailed PR:PROJECT_SUMMARY mechanistic understanding of is still lacking, such a propagating feature of PR:PROJECT_SUMMARY ferroptosis has far-reaching implications in developmental and pathological PR:PROJECT_SUMMARY processes. Here, we show that the intercellular transmission of ferroptosis PR:PROJECT_SUMMARY relies on an extracellular vesicle (EV)-dependent transport mechanism. PR:PROJECT_SUMMARY Ferroptotic cells produce massive amounts of EVs carrying death signals. PR:PROJECT_SUMMARY Proteomic analysis reveals that these EVs are CD9 positive and contain major PR:PROJECT_SUMMARY components of the mitogen-activated protein kinase (MAPK) signaling. Further PR:PROJECT_SUMMARY untargeted lipidomics results show that EVs secreted from ferroptotic cells PR:PROJECT_SUMMARY (RSL3-EVs) and control EVs (DMSO-EVs) shared similar lipid composition. PR:PROJECT_SUMMARY EV-transported MAP2K1/2 sensitizes target cells for ferroptosis through the PR:PROJECT_SUMMARY action of peroxisome-proliferator activator receptor gamma (PPARG), a PR:PROJECT_SUMMARY transcription factor that controls expression of various components of PR:PROJECT_SUMMARY ferroptosis defense systems. Perturbation of EV-based transport protects PR:PROJECT_SUMMARY adjacent tissue from ferroptosis in vivo. Our study thus uncovers an PR:PROJECT_SUMMARY EV-dependent intercellular transport mechanism of ferroptosis that is mediated PR:PROJECT_SUMMARY by the MAPK-responsive PPARG pathway. PR:INSTITUTE Zhejiang University PR:DEPARTMENT School of Medicine PR:LAST_NAME Li PR:FIRST_NAME Yue PR:ADDRESS 866 Yuhangtang Road, Hangzhou, Zhejiang, 310058, China PR:EMAIL liyue9104@zju.edu.cn PR:PHONE (86)18869960769 PR:DOI http://dx.doi.org/10.21228/M85J9C #STUDY ST:STUDY_TITLE CD9-dependent extracellular vesicles mediate the propagation of ferroptosis ST:STUDY_SUMMARY Ferroptosis is a form of regulated cell death that is mediated by accumulation ST:STUDY_SUMMARY of lipid peroxides. Emerging evidence suggests that ferroptosis as a ST:STUDY_SUMMARY cell-autonomous event can propagate to surrounding cells. Although a detailed ST:STUDY_SUMMARY mechanistic understanding of is still lacking, such a propagating feature of ST:STUDY_SUMMARY ferroptosis has far-reaching implications in developmental and pathological ST:STUDY_SUMMARY processes. Here, we show that the intercellular transmission of ferroptosis ST:STUDY_SUMMARY relies on an extracellular vesicle (EV)-dependent transport mechanism. ST:STUDY_SUMMARY Ferroptotic cells produce massive amounts of EVs carrying death signals. ST:STUDY_SUMMARY Proteomic analysis reveals that these EVs are CD9 positive and contain major ST:STUDY_SUMMARY components of the mitogen-activated protein kinase (MAPK) signaling. Further, ST:STUDY_SUMMARY untargeted lipidomics results show that EVs secreted from ferroptotic cells ST:STUDY_SUMMARY treated with RAS-selective lethal 3 (RSL3-EVs) and control EVs (DMSO-EVs) shared ST:STUDY_SUMMARY similar lipid composition. EV-transported MAP2K1/2 sensitizes target cells for ST:STUDY_SUMMARY ferroptosis through the action of peroxisome-proliferator activator receptor ST:STUDY_SUMMARY gamma (PPARG), a transcription factor that controls expression of various ST:STUDY_SUMMARY components of ferroptosis defense systems. Perturbation of EV-based transport ST:STUDY_SUMMARY protects adjacent tissue from ferroptosis in vivo. Our study thus uncovers an ST:STUDY_SUMMARY EV-dependent intercellular transport mechanism of ferroptosis that is mediated ST:STUDY_SUMMARY by the MAPK-responsive PPARG pathway. ST:INSTITUTE Zhejiang University ST:DEPARTMENT School of Medicine ST:LAST_NAME Li ST:FIRST_NAME Yue ST:ADDRESS 866 Yuhangtang Road, Hangzhou, Zhejiang, 310058, China ST:EMAIL liyue9104@zju.edu.cn ST:PHONE (86)18869960769 ST:SUBMIT_DATE 2025-01-20 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - DMSO-EV-1 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D1.mzML; RAW_FILE_NAME=POS_D1.mzML SUBJECT_SAMPLE_FACTORS - DMSO-EV-2 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D2.mzML; RAW_FILE_NAME=POS_D2.mzML SUBJECT_SAMPLE_FACTORS - DMSO-EV-3 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D3.mzML; RAW_FILE_NAME=POS_D3.mzML SUBJECT_SAMPLE_FACTORS - DMSO-EV-4 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D4.mzML; RAW_FILE_NAME=POS_D4.mzML SUBJECT_SAMPLE_FACTORS - DMSO-EV-5 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D5.mzML; RAW_FILE_NAME=POS_D5.mzML SUBJECT_SAMPLE_FACTORS - DMSO-EV-6 Sample source:U-2 OS cell culture media | Treatment:DMSO RAW_FILE_NAME=NEG_D6.mzML; RAW_FILE_NAME=POS_D6.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-1 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R1.mzML; RAW_FILE_NAME=POS_R1.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-2 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R2.mzML; RAW_FILE_NAME=POS_R2.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-3 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R3.mzML; RAW_FILE_NAME=POS_R3.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-4 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R4.mzML; RAW_FILE_NAME=POS_R4.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-5 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R5.mzML; RAW_FILE_NAME=POS_R5.mzML SUBJECT_SAMPLE_FACTORS - RSL3-EV-6 Sample source:U-2 OS cell culture media | Treatment:RSL3 RAW_FILE_NAME=NEG_R6.mzML; RAW_FILE_NAME=POS_R6.mzML #COLLECTION CO:COLLECTION_SUMMARY EVs secreted by DMSO- or RSL3-treated U-2 OS cells were harvested.The U-2 OS CO:COLLECTION_SUMMARY cell line is a human osteosarcoma cell line. RAS-selective lethal 3 (RSL3) is a CO:COLLECTION_SUMMARY drug that activates ferroptosis. Cells grew in DMEM medium till 60% confluency CO:COLLECTION_SUMMARY before being treated with 20 μM RSL3 or DMSO solvent for 18 hrs. Medium was CO:COLLECTION_SUMMARY removed and cells were washed before the incubation with plain DMEM medium for CO:COLLECTION_SUMMARY 24 hrs. Then conditioned culture media were collected and centrifuged at 4,500 CO:COLLECTION_SUMMARY × g for 30 min at 4°C. The supernatants were centrifuged at 10,000 g at 4°C CO:COLLECTION_SUMMARY for 1 hr. The pellets (EVs) were washed with PBS and centrifuged at 100,000 g at CO:COLLECTION_SUMMARY 4°C for 1 hr. The pellets (EVs) were resuspended in PBS. CO:SAMPLE_TYPE U-2 OS cell culture media #TREATMENT TR:TREATMENT_SUMMARY U-2 OS cells were treated with 20 uM RSL3 or DMSO solvent for 18 hrs. Medium was TR:TREATMENT_SUMMARY removed and cells were incubated with fresh plain DMEM medium for 24 hrs before TR:TREATMENT_SUMMARY EV collection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipid Extraction: A 200 μL sample was pipetted into an EP tube, mixed with 80 SP:SAMPLEPREP_SUMMARY μL methanol and 400 μL MTBE, vortexed, and ultrasonicated at 5°C and 40 kHz SP:SAMPLEPREP_SUMMARY for 30 min. After chilling at -20°C for 30 min, the mixture was centrifuged at SP:SAMPLEPREP_SUMMARY 13,000 g at 4°C for 15 min. A 350 μL supernatant was collected, dried, and SP:SAMPLEPREP_SUMMARY reconstituted in 100 μL of a 1:1 isopropanol:acetonitrile solution. The sample SP:SAMPLEPREP_SUMMARY was vortexed for 30 s, then sonicated in an ice-water bath at 4°C and 40 kHz SP:SAMPLEPREP_SUMMARY for 5 min. Following another centrifugation at 13,000 g at 4°C for 15 min, 2 SP:SAMPLEPREP_SUMMARY μL of the clear supernatant was analyzed by UHPLC-MS/MS. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:COLUMN_TEMPERATURE 40 ℃ CH:FLOW_GRADIENT Linear gradient from 35% to 60%B, 0-4min; from 60% to 85% B, 4-12 min; from 85% CH:FLOW_GRADIENT to 100% B, 12-15 min; hold at 100% B, 15-17min; from 100% to 35% B, 17-18 min; CH:FLOW_GRADIENT hold at 35% B, until the end of separation. CH:FLOW_RATE 0.4 mL/min CH:SOLVENT_A 50% acetonitrile/50% water; 10mM ammonium acetate; 0.1% formic acid CH:SOLVENT_B 10% acetonitrile/88% isopropanol/2% water; 2mM ammonium acetate; 0.02% formic CH:SOLVENT_B acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS The mass spectrometric data were acquired utilizing a Thermo UHPLC-Q-Exactive MS:MS_COMMENTS HF-X Benchtop Orbitrap Mass Spectrometer. The instrumental parameters were MS:MS_COMMENTS optimized as follows: sheath gas flow rate: 60 psi; auxiliary gas flow rate: 20 MS:MS_COMMENTS psi; auxiliary gas heater temperature: 370°C. The ion-spray voltage floating MS:MS_COMMENTS was adjusted to -3000 V for negative ion mode and +3000 V for positive ion mode. MS:MS_COMMENTS Rolling collision energies at 20-40-60 V. The Data Dependent Acquisition mode MS:MS_COMMENTS with a mass range of 200-2000 m/z were performed to collect data. Data MS:MS_COMMENTS Processing: The raw data were processed using LipidSearch (Thermo, CA) for peak MS:MS_COMMENTS detection, alignment and identification. The mass error was set to be smaller MS:MS_COMMENTS than 10 ppm MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS log10(abundance) MS_METABOLITE_DATA_START Samples DMSO-EV-1 DMSO-EV-2 DMSO-EV-3 DMSO-EV-4 DMSO-EV-5 DMSO-EV-6 RSL3-EV-1 RSL3-EV-2 RSL3-EV-3 RSL3-EV-4 RSL3-EV-5 RSL3-EV-6 Factors Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:DMSO Sample source:U-2 OS cell culture media | Treatment:RSL3 Sample source:U-2 OS cell culture media | Treatment:RSL3 Sample source:U-2 OS cell culture media | Treatment:RSL3 Sample source:U-2 OS cell culture media | Treatment:RSL3 Sample source:U-2 OS cell culture media | Treatment:RSL3 Sample source:U-2 OS cell culture media | Treatment:RSL3 Cer(d17:1/16:0) 7.3197 7.3084 7.3198 7.3350 7.2895 7.2938 7.3097 7.1899 7.2325 7.2136 7.2293 7.2366 Cer(d17:1/24:1) 7.3891 7.3933 7.3994 7.4042 7.3814 7.3817 7.4297 7.3984 7.4407 7.4387 7.4077 7.4262 Cer(d18:0/17:0) 6.3775 6.4081 6.3712 6.3761 6.3694 6.2873 7.2056 7.1778 7.1289 7.1592 7.1554 7.1873 Cer(d18:0/23:1) 6.7380 6.7471 6.7348 6.7537 6.7431 6.7106 7.4366 7.4328 7.4453 7.4216 7.4224 7.4467 Cer(d18:0/24:0) 7.5492 7.5646 7.5535 7.5680 7.5552 7.5314 8.1380 8.1982 8.1517 8.1578 8.1738 8.1674 Cer(d18:0/25:1) 6.2503 6.1859 6.2867 6.0535 6.2225 6.2291 7.0576 7.0517 7.0928 7.0393 7.0588 7.1050 Cer(d18:1/23:0) 7.4142 7.4638 7.4343 7.4396 7.4471 7.4202 7.4908 7.4930 7.4876 7.4983 7.4832 7.5051 Cer(d18:1/24:0) 7.6277 7.6400 7.6240 7.6187 7.6010 7.6082 7.6632 7.6786 7.6787 7.6583 7.6698 7.6551 Cer(d18:1/25:1) 6.8284 6.8371 6.7797 6.7941 6.8391 6.7767 6.8302 6.8749 6.8415 6.8822 6.8660 6.9277 CerG2GNAc1(d18:1/24:0) 7.0526 7.0684 7.0406 7.0310 7.0394 7.0136 7.2209 7.1975 7.2398 7.2147 7.1859 7.2074 CerP(d18:1/24:1) 7.9222 7.8940 7.8444 7.9984 7.8444 7.9203 7.8450 7.8436 7.8399 7.8151 7.8381 7.6776 CerP(d18:1/24:2) 7.0090 6.9745 6.7826 7.0067 6.8689 6.8952 6.9461 7.0868 6.9373 7.0829 7.0857 6.9402 CerP(d18:1/25:1) 7.5456 7.3058 7.1959 7.2406 7.1780 7.4836 7.2187 7.3456 7.2469 7.5900 7.2103 7.2362 CerP(m17:1/18:2+O) 7.3676 7.4834 7.2409 7.2721 7.4558 7.0669 7.3844 7.3198 7.5552 7.3544 7.4250 7.3297 CerP(t18:1/25:3) 7.3075 7.3114 7.3127 7.3291 7.3147 7.2758 7.0700 7.0917 7.0979 7.0707 7.0875 7.0494 Cer(t18:0/22:4) 7.9210 7.9255 7.9110 7.9343 7.9004 7.9009 8.0310 8.0409 8.0871 8.0670 8.0928 8.0533 CL(13:0/18:1/22:6/22:6) 6.3231 4.7152 6.3062 6.2544 6.2542 5.0067 6.0262 5.9646 6.0026 5.9460 6.0436 5.9196 CL(14:0/16:0/16:1/20:0) 6.5906 6.5885 7.5134 7.4890 7.3725 7.4845 7.5696 7.6841 7.7014 4.6817 7.2264 7.5982 CL(14:0/18:1/20:4/16:0) 7.8834 7.8791 7.8590 7.8618 7.8525 7.8273 7.5919 7.5989 7.6035 7.5886 7.5998 7.5918 CL(14:0/22:0/15:0/22:3) 7.5887 7.6231 7.5658 7.6830 7.6334 7.6400 7.2901 7.3050 7.2517 7.3012 7.3232 7.3207 CL(17:0/18:1/16:0/18:1) 7.8887 7.8656 7.8515 7.8500 7.8749 7.8696 7.5584 7.5585 7.5889 7.6012 7.5830 7.5768 CL(17:0/18:1/18:0/18:1) 7.1427 7.1598 6.9528 7.0601 7.1307 7.0892 6.8066 6.8007 6.8013 6.9633 6.7101 6.8101 CL(17:0/18:1/18:1/18:1) 7.8046 7.8129 7.8103 7.7958 7.8148 7.8216 7.5676 7.5556 7.5648 7.5597 7.5620 7.5036 CL(17:0/18:1/22:5/16:0) 7.2127 7.1768 7.2188 7.1187 7.2197 7.1091 6.8647 6.9544 6.9490 6.9167 6.9862 6.9083 CL(17:1/18:1/18:1/18:1) 7.6665 7.6765 7.6226 7.6089 7.6243 7.6104 7.4646 7.4413 7.4594 7.4390 7.4245 7.4341 CL(17:1/20:4/14:0/18:1) 6.9335 6.9021 6.8804 6.8920 6.9031 6.8896 6.7533 6.7781 6.7202 6.7232 6.6906 6.7222 CL(18:1/16:0/18:0/18:0) 8.7472 8.7828 8.7757 8.7630 8.7485 8.7787 8.7027 8.7291 8.7683 8.6886 8.6915 8.6386 CL(18:1/16:0/20:3/14:0) 6.9391 6.8697 6.8570 6.9158 6.9769 6.9737 6.8569 6.8940 6.0267 7.0208 6.9253 6.8932 CL(18:1/16:0/20:4/18:0) 7.9601 7.9487 7.7872 7.8839 7.8984 7.9352 7.6050 7.5734 7.6981 7.6971 7.7045 7.6362 CL(18:1/16:1/18:2/16:0) 7.5714 7.5636 7.5717 7.5456 7.5480 7.5367 7.4469 7.4169 7.4646 7.4456 7.5861 7.4201 CL(18:1/18:0/18:0/18:0) 8.1174 8.1494 8.1349 8.1282 8.1190 8.0996 8.1403 8.1504 8.1392 8.1314 8.1909 8.1857 CL(18:1/18:0/18:1/18:1) 6.5720 8.5492 8.5119 7.9144 8.4405 8.5092 8.2062 8.2095 8.1988 8.1647 8.2160 8.1776 CL(18:1/18:1/18:1/18:1) 8.6554 8.8076 8.7887 8.6712 8.7108 8.7669 8.0471 8.4945 7.9077 8.5287 8.5100 8.4617 CL(18:1/18:1/20:4/18:0) 7.9877 8.1339 8.0982 7.8995 7.9453 7.9445 7.8602 7.6927 7.5574 7.6520 7.6815 7.6498 CL(18:2/14:0/18:1/20:4) 6.5583 6.6835 6.6234 6.5182 6.5776 6.5708 6.7331 6.7840 6.7527 6.8217 6.8153 6.8172 CL(18:2/16:1/18:1/18:1) 7.2174 7.2599 7.1760 7.1483 7.1366 7.1409 7.2934 7.2668 7.2059 7.2405 7.3410 7.2193 CL(19:0/20:4/16:0/16:0) 8.8044 8.8560 8.8062 8.8095 8.8348 8.7730 8.8844 8.8160 8.8905 8.9117 8.8857 8.9042 CL(20:4/16:1/18:0/20:4) 7.4360 7.4395 7.4381 7.4431 7.4389 7.4249 7.4643 7.4488 7.4811 7.4546 7.4650 7.4132 CL(20:4/20:3/16:0/20:1) 6.5980 6.7343 6.6688 5.2797 6.7048 6.6944 6.4883 6.5631 6.4734 6.5659 6.5964 6.5270 CL(20:5/16:0/20:4/22:0) 8.1539 8.1953 8.1451 8.1486 8.1426 8.1177 8.0800 8.0603 8.0775 8.0632 8.0514 8.0480 CL(21:0/14:0/16:0/22:2) 7.4809 7.5038 7.4724 7.4649 7.4460 7.4515 7.6990 7.7117 7.6836 7.7141 7.6963 7.7429 CL(21:0/14:0/18:2/18:0) 6.1780 6.3937 5.6842 6.1190 6.0145 6.2887 7.0441 6.9839 6.4795 7.0003 7.0125 7.2149 CL(21:0/20:3/16:0/20:0) 7.4235 7.4522 7.4232 7.4302 7.4266 7.4085 7.3847 7.4453 7.4387 7.4333 7.4366 7.4283 CL(21:0/20:4/16:1/20:0) 7.9452 7.9718 7.9407 7.9422 7.9532 7.9354 7.8885 7.8967 7.9011 7.9109 7.9064 7.9002 CL(21:0/22:5/22:5/22:5) 7.3497 7.3490 7.3551 7.3297 7.3251 7.3832 7.5169 7.5365 7.5845 7.5451 7.5589 7.5289 CL(21:0/22:5/22:6/22:6) 7.3562 7.3871 7.3380 7.3562 7.3454 7.3470 8.0260 6.2745 7.9960 8.0044 8.0219 8.0056 CL(21:1/22:6/22:6/22:6) 6.6421 6.6625 6.6316 6.6375 6.6335 6.3690 7.4447 7.4290 7.4551 7.4392 7.4680 7.4746 CL(22:0/16:0/18:0/18:1) 8.9686 8.8858 8.9413 8.8580 8.8950 8.9070 8.9114 8.9155 9.0078 9.0431 8.9814 9.0154 CL(22:1/18:0/16:0/18:1) 7.8604 7.8641 7.8187 7.8496 7.8253 7.8375 7.9135 7.9357 7.9416 7.9343 7.9462 7.9402 CL(22:3/18:0/18:0/20:4) 8.9065 8.9398 8.9105 8.9260 8.9127 8.8741 8.9517 8.9636 8.9302 8.9332 8.9303 8.9046 CL(22:4/18:0/18:1/20:4) 8.6496 8.6613 8.7055 8.7394 8.7798 8.7024 8.5935 8.5815 8.6293 8.5896 8.5679 8.5698 CL(22:6/22:6/18:1/14:0) 7.0197 7.0765 5.5902 6.9463 7.0008 7.0257 6.6181 6.8239 5.3005 6.7744 5.3175 5.5449 CL(23:0/14:0/16:1/24:1) 7.0102 7.0679 7.0187 7.0673 7.0960 7.0684 7.0872 7.1135 7.0988 7.1027 7.1110 7.1077 CL(23:0/15:0/16:0/18:1) 7.7255 7.8555 7.7473 7.8062 7.7905 7.7978 7.9110 7.9062 7.9040 7.8889 7.8863 7.8805 CL(23:0/16:0/16:0/16:0) 7.4344 7.4520 7.4019 7.4211 7.3861 7.3974 7.1819 7.1774 7.1865 7.2452 7.1937 7.1939 CL(23:0/16:0/18:0/18:0) 6.9578 6.9550 6.9979 6.9454 6.9747 6.9336 7.0244 7.0181 7.0032 7.0001 6.9730 6.9715 CL(23:1/16:0/18:0/18:1) 7.2936 7.3019 7.2877 6.7065 7.2267 7.2331 7.3245 7.3605 7.3113 7.3635 7.3318 7.3606 CL(24:0/16:0/16:0/18:1) 8.0448 8.8178 8.3087 8.8130 8.0682 7.6296 8.7316 8.1181 8.6774 8.6677 8.7427 8.6707 CL(24:0/16:0/18:0/14:0) 7.4607 7.5713 7.5225 7.5206 7.5441 7.5219 7.6229 7.6021 7.6185 7.6060 7.6036 7.6194 CL(24:0/16:0/18:0/18:0) 7.5399 7.5697 7.4126 7.5250 7.5591 7.5155 7.4642 7.4658 7.3989 7.4588 7.5033 7.4585 CL(24:0/16:0/18:0/18:1) 7.2108 7.4009 7.2316 7.2084 7.1355 7.3275 7.4408 7.4616 7.3002 7.3361 7.4166 7.4472 CL(24:0/16:0/18:1/18:2) 7.1563 7.2107 7.2831 7.2161 7.1375 7.3142 7.2917 7.3997 7.3008 7.2776 7.3562 7.2710 CL(24:0/18:0/18:0/18:1) 8.6591 8.6679 8.6647 8.6435 8.6485 8.6381 8.4508 8.4665 8.4763 8.4309 8.4330 8.4286 CL(24:0/18:0/20:4/20:4) 6.9534 7.0010 6.9562 7.0857 7.0939 6.9689 6.8584 6.8556 6.9280 6.9042 6.8115 6.9300 CL(24:0/18:1/18:1/18:1) 7.9636 8.1606 7.9966 8.0130 7.9193 8.1181 7.9692 8.0088 7.9489 7.9743 7.9488 7.9685 CL(24:1/16:1/18:0/18:0) 6.0284 6.7461 6.9574 6.9573 6.9218 5.7024 7.0517 7.0593 7.0478 6.4584 6.9518 7.0007 CL(24:1/20:0/22:0/24:1) 8.6102 8.6333 8.6155 8.5957 8.5096 8.5347 8.4985 8.5022 8.5162 8.5335 8.5039 8.1711 DLCL(18:2/15:0) 5.9582 6.0082 5.8689 5.8910 5.8996 5.8764 6.7190 6.6991 6.7230 6.7264 6.6738 6.6665 DLCL(22:6/15:0) 6.9942 7.0446 7.0100 7.0229 7.0136 6.9829 7.6739 7.6604 7.7062 7.6492 7.6479 7.6529 dMePE(16:0/14:0) 8.1789 8.2178 8.2062 8.1956 8.1825 8.1950 8.1422 8.1767 8.1758 8.1617 8.1861 8.1926 dMePE(16:0/16:0) 8.7178 8.7384 8.7018 8.7091 8.7068 8.7002 8.5439 8.5356 8.5203 8.5232 8.5223 8.5222 dMePE(16:0/17:0) 7.6470 7.6585 7.6575 7.6312 7.6458 7.6319 7.4409 7.4162 7.4681 7.4662 7.4593 7.4852 dMePE(16:1e/16:1) 7.1483 7.1582 7.5423 7.1279 7.1716 7.3706 7.1557 7.1957 7.1806 7.1351 7.1527 7.1797 dMePE(17:1/16:0) 7.8768 7.9017 7.8595 7.8547 7.8543 7.8476 7.9471 7.9387 7.9487 7.9337 7.9392 7.9577 dMePE(17:1/16:1) 6.7800 6.7507 6.5589 6.7957 6.5856 6.7523 7.0553 7.0702 6.3955 7.0213 7.0812 5.6234 dMePE(18:0/16:0) 8.7479 8.7572 8.7330 8.7330 8.7380 8.7181 8.4699 8.4962 8.5014 8.4839 8.4912 8.4949 dMePE(18:0/20:3) 7.7933 7.6075 7.5876 7.5907 7.5693 7.5887 7.4179 7.4638 7.4641 7.5022 7.6100 7.4672 dMePE(18:0/22:5) 7.4720 7.4544 7.4978 7.4695 7.4500 7.4815 7.2772 7.2876 7.2780 7.2786 7.3115 7.3032 dMePE(18:1/20:4) 7.6944 7.6800 7.6822 7.7005 7.6575 7.6685 7.6110 7.6282 7.6357 7.6311 7.6280 7.6281 dMePE(20:1e/16:0) 7.5310 7.5497 7.4976 7.5250 7.4823 7.5420 7.3980 7.4531 7.4268 7.4427 7.4256 7.4197 dMePE(20:1e/20:4) 6.5371 6.5554 6.4794 6.5860 6.4967 6.5637 6.9081 6.9435 6.9465 6.9137 6.9395 6.9258 dMePE(30:1/22:5) 7.1822 7.2506 7.1832 7.2160 7.2058 7.2045 7.2609 7.2605 7.2597 7.2431 7.2495 7.3052 FA(20:5) 8.5616 8.5725 8.5871 8.6349 8.6063 8.4661 8.8668 8.8810 8.8820 8.8872 8.8484 8.8458 FA(22:4) 7.9385 7.9521 7.9326 7.7208 7.9263 7.8991 8.1923 8.0043 8.2160 8.2090 8.1977 8.0138 FA(22:5) 9.0811 9.1000 9.1473 9.0869 9.1288 9.0281 9.3072 9.3368 9.2727 9.2716 9.3206 9.2995 FA(22:6) 9.0528 9.0369 9.0299 9.0241 9.0640 9.0890 9.2407 9.2271 9.2072 9.2154 9.2818 9.2097 GM2(d16:0/18:1) 7.3890 7.3823 7.3507 7.3978 7.3896 7.3662 7.3285 7.3280 7.3344 7.3172 7.3070 7.3048 GM2(d18:1/16:0+O) 6.4353 6.5017 6.4422 6.4052 6.4281 6.4344 6.4156 6.3416 6.3392 6.3940 6.3837 6.3366 Hex1Cer(d18:0/24:0) 7.1123 7.1750 7.1209 7.1491 7.1395 7.1094 8.0298 7.9856 8.0162 8.0259 8.0041 8.0453 Hex1Cer(d18:0/24:1) 6.6864 6.7015 6.6690 6.6677 6.6844 6.6158 7.6876 7.7042 7.6913 7.6890 7.6545 7.7328 Hex1Cer(d18:1/23:1) 6.6245 6.5988 6.6067 6.6470 6.5724 6.5457 7.0189 7.0175 7.0209 7.0412 7.0375 7.0206 Hex1Cer(d20:0/24:0) 5.6865 5.5371 5.7237 5.5980 5.5234 5.6506 6.7050 6.7149 6.7201 6.7367 6.7239 6.7143 Hex1Cer(t16:0/17:1) 7.1518 6.9603 6.9622 6.9615 6.9969 6.9694 7.1856 7.2153 7.1438 7.1428 7.1480 7.1503 Hex1Cer(t20:0/16:0) 5.7210 6.6550 6.5828 6.6473 6.6150 5.3981 7.0280 5.6778 7.0299 6.9461 6.9337 7.2335 Hex2Cer(d16:0/18:1) 7.4691 7.5097 7.4910 7.4691 7.4739 7.4571 7.5129 7.5186 7.5209 7.4905 7.5332 7.5177 Hex2Cer(d18:1/24:0) 7.4460 7.4517 7.4208 7.4146 7.4032 7.4118 7.6257 7.6428 7.6071 7.6396 7.6160 7.6230 LPC(18:1) 7.0824 7.1402 7.1081 6.9085 7.1114 5.2608 7.2411 7.2605 7.2831 7.2719 7.2768 7.2608 LPE(16:1e) 7.4755 7.4034 7.3580 7.4648 7.4053 7.3532 7.8298 7.8503 7.8167 7.9388 7.8337 7.9392 LPE(18:2e) 6.9224 6.9307 5.2674 6.9092 6.6657 6.9156 7.4431 5.3814 7.4944 7.4878 6.4131 7.4808 MGDG(14:0e/16:1) 6.5842 6.6230 6.6304 6.9368 6.8641 6.1648 5.6312 6.5174 6.3471 6.0066 6.2626 6.3785 MGDG(14:0e/17:0) 8.2817 8.2978 8.2790 8.2756 8.2615 8.2658 8.1293 8.1274 8.1532 8.1312 8.1399 8.1497 MGDG(18:0/16:0p) 7.0473 7.0566 7.0360 7.0683 7.0312 6.5899 6.7861 6.7468 6.8162 6.7876 6.8300 6.7820 MGDG(18:0e/18:1) 8.3959 8.3961 8.4105 8.3753 8.4098 8.3805 8.2453 8.2504 8.2804 8.2446 8.2376 8.2462 MGDG(18:1/20:8) 7.2592 7.2794 7.2525 7.3278 7.3387 7.3086 6.7119 6.7293 6.6881 6.7313 6.8052 6.8415 MGDG(20:3e/18:0) 7.7767 7.7910 7.7494 7.7757 7.7617 7.7586 7.4938 7.4810 7.5630 7.5682 7.5774 7.4533 MLCL(14:2/18:0/18:0) 7.6490 7.7526 7.7653 7.7323 7.7552 7.7531 7.9210 7.7979 7.8555 7.8653 7.9239 7.9228 MLCL(14:2/18:1/18:1) 5.0759 7.1087 7.0880 7.1016 7.0863 6.9953 7.2476 7.2660 7.2857 7.2824 7.2861 7.2734 MLCL(18:1/16:0/16:0) 7.9356 7.9541 7.9256 7.9467 7.9366 7.9286 7.7659 7.7872 7.7902 7.7785 7.7892 7.7844 MLCL(18:1/16:0/18:1) 7.6291 7.6371 7.6150 7.6088 7.6134 7.6049 7.5459 7.5464 7.5548 7.5520 7.5485 7.5498 MLCL(23:0/18:1/24:1) 8.3332 8.3273 8.3348 8.3219 8.3844 8.3284 8.1690 8.1566 8.1761 8.1618 8.1661 8.1759 MLCL(23:1/18:2/24:1) 7.4506 7.5569 7.3849 7.4870 7.1638 7.3749 7.0734 7.3624 7.3575 7.3651 7.0506 7.1493 OAHFA(18:0/20:2) 6.8232 6.8339 6.8485 6.8757 6.8382 6.8380 6.4855 6.5636 6.5135 6.5527 6.5205 6.5307 OAHFA(20:4/22:6) 6.2232 6.2606 6.4042 6.4158 6.4558 6.3977 6.8888 6.9193 6.9235 6.9236 6.8678 6.9240 PA(16:0/18:1) 8.3522 8.3342 8.3298 8.3121 8.3923 8.3669 8.1141 8.1480 8.1775 8.2190 8.1601 8.2208 PA(18:0/18:1) 8.0649 8.0769 8.0396 8.0546 8.0265 8.0971 7.9525 7.9518 7.9465 7.9427 7.9577 7.9266 PA(18:0/18:2) 7.7124 7.6705 7.6679 7.3602 6.2270 6.4336 7.7732 7.7846 7.6883 7.6611 7.7687 7.8078 PA(18:1/24:2) 7.6904 6.7803 7.4828 7.7179 7.6467 7.6048 6.1885 6.6596 6.3900 5.9574 6.2711 6.3352 PA(24:0/20:4) 7.4198 7.8991 7.8703 7.4449 7.8433 7.8680 7.8902 7.4115 6.0653 7.9041 7.9046 7.9320 PC(16:0/17:0) 8.5529 8.5704 8.5585 8.6627 8.5384 8.6397 8.3851 8.3558 8.3529 8.4030 8.3854 8.3765 PC(16:0/18:2) 7.7126 7.7904 7.7776 7.7638 7.7174 7.7618 7.5005 7.5971 7.4844 7.4877 7.5522 7.5707 PC(16:0/21:0) 7.0547 7.0994 7.0115 7.0427 7.0528 7.0500 7.2153 7.2068 7.2084 7.1596 7.1883 7.0568 PC(16:0/22:4) 7.6846 7.7486 7.6121 7.7394 7.6398 7.6579 7.7864 7.7025 7.7357 7.7496 7.7357 7.7484 PC(16:0/22:5) 8.6657 8.6663 8.6657 8.6625 8.6547 8.6376 8.5874 8.5900 8.6216 8.6206 8.6031 8.5981 PC(16:0e/14:0) 7.9989 8.0248 7.9803 8.0155 7.9915 7.9891 8.1021 8.1095 8.1106 8.0922 8.0886 8.0906 PC(16:0e/16:1) 8.1700 8.1952 8.1987 8.1980 8.1642 8.1554 8.4240 8.4100 8.4192 8.3917 8.4091 8.3851 PC(16:0e/20:4) 8.0113 8.0161 7.9997 7.9933 7.9873 7.9912 8.2264 8.2172 8.2173 8.2159 8.2089 8.2326 PC(16:0e/22:4) 7.2442 7.2731 7.4102 7.2336 7.2763 7.2168 7.5889 7.5702 7.5781 7.5943 7.7056 7.5832 PC(16:1/22:5) 7.7494 7.7065 7.7194 7.6814 7.7321 7.6982 7.9204 7.9285 7.9470 7.9063 7.9272 7.9280 PC(16:1e/14:0) 7.7989 7.8664 7.8210 7.7994 7.8140 7.7896 7.8147 7.7900 7.7930 7.7336 7.8049 7.8098 PC(16:1e/16:0) 8.6757 8.7433 8.6744 8.6679 8.7044 8.7097 8.6120 8.5651 8.5688 8.5139 8.5250 8.5961 PC(16:1e/18:1) 8.5421 8.5747 8.6101 8.5921 8.6045 8.5492 8.5256 8.5244 8.4999 8.5650 8.4440 8.5159 PC(16:1e/18:2) 7.5550 7.2581 7.5276 7.4732 7.5219 7.4942 7.3983 7.5747 7.5807 7.2695 7.6024 7.5756 PC(16:1e/20:5) 7.2316 7.1096 7.2310 7.1637 7.2799 7.1393 7.3338 7.2735 7.3859 7.3140 7.3128 7.3579 PC(16:1e/22:4) 7.4212 7.3554 7.3596 7.3281 7.3348 7.3389 7.7086 7.7196 7.7025 7.6810 7.7012 7.6731 PC(16:2e/14:0) 7.9857 8.0031 7.9994 7.9584 7.9867 7.9654 8.0795 8.0836 8.1006 8.0966 8.0853 8.0298 PC(17:1/16:0) 8.7414 8.7654 8.7338 8.7408 8.6993 8.7251 8.7630 8.7907 8.7735 8.7356 8.7151 8.7573 PC(17:1/16:1) 7.2779 6.2718 7.4186 7.1863 7.4430 7.3867 7.6893 7.7353 7.8028 7.8232 7.7745 7.8175 PC(18:0/18:0) 8.3517 8.3617 8.3403 8.3505 8.3470 8.3343 8.1653 8.1577 8.1726 8.1637 8.1545 8.1470 PC(18:0/22:3) 7.3062 7.4419 7.2621 7.3148 7.3297 7.2053 7.4446 7.3412 7.3745 7.3960 7.3408 7.5659 PC(18:0/22:5) 8.6547 8.7078 8.6565 8.6581 8.6526 8.6599 8.4990 8.5169 8.5152 8.5251 8.5054 8.5137 PC(18:0e/16:0) 8.5137 8.5414 8.4965 8.5002 8.4997 8.5070 8.6666 8.6587 8.6711 8.6754 8.6499 8.6764 PC(18:1/18:2) 8.5204 8.6137 8.5886 8.5854 8.6501 8.5786 8.2334 8.6085 8.6305 8.6633 8.6085 8.2705 PC(18:1/22:1) 7.2447 7.3669 7.2817 7.3466 7.3220 7.3503 7.4650 7.3756 7.4058 7.4791 7.4719 7.4348 PC(18:1e/15:0) 7.7673 7.7942 7.7664 7.7618 7.7531 7.7535 7.9716 7.9858 7.9725 6.0682 7.8721 7.9471 PC(18:1e/20:4) 7.5786 7.5699 7.5734 7.5421 7.5299 7.4984 7.8055 7.7487 7.7994 7.7189 7.8083 7.7399 PC(18:2e/18:1) 7.8389 7.8534 7.8202 7.8496 7.8426 7.9074 7.8328 7.8431 7.8926 7.8824 7.8353 7.7888 PC(18:2e/20:3) 8.3817 8.2735 8.3665 8.2310 8.4364 8.2480 8.0542 8.4693 8.1852 8.1875 8.4607 8.0625 PC(18:2e/22:4) 6.8682 7.0029 6.7076 6.9974 6.8815 6.9567 7.1499 7.0564 7.0853 7.1392 7.1197 7.1291 PC(18:2e/22:5) 7.3051 7.3234 7.2902 7.2955 7.3032 7.2711 7.3907 7.3544 7.4012 7.3973 7.0352 7.3982 PC(19:1/18:0) 8.0849 8.0907 8.0861 8.0841 8.0645 8.0379 8.0050 8.0055 7.9681 7.9761 7.9404 7.9610 PC(20:1/18:1) 8.2881 7.9449 8.2947 8.2809 8.2737 8.2646 8.0371 8.3056 8.3067 8.2887 8.2879 8.2979 PC(20:2e/18:0) 8.1856 8.2084 8.1932 8.1951 8.1724 8.1991 7.9879 7.9663 7.9892 7.9728 7.9742 7.9336 PC(30:1/20:4) 6.9593 6.9567 6.9449 6.9525 6.9480 6.9131 7.0673 7.0727 7.0099 6.9839 6.9781 7.0496 PC(30:1/22:5) 7.1812 7.2496 7.1822 7.2150 7.2048 7.2035 7.2599 7.2595 7.2587 7.2421 7.2485 7.3043 PC(32:1/20:4) 7.0641 7.1730 6.8717 6.9602 6.9883 6.9465 6.9977 7.0261 6.9592 6.9491 6.9638 6.9701 PE(16:0/14:0) 7.4305 7.6419 7.4213 7.4245 7.4864 7.4016 7.3886 7.6143 7.3926 7.4167 7.3398 7.3357 PE(16:0/18:2) 5.6327 5.8362 5.7761 5.8581 5.7791 6.0901 6.2384 5.7641 7.4245 4.9023 6.2807 7.4829 PE(16:0/20:5) 7.5244 7.5489 7.5077 7.5049 7.4792 7.5205 7.5659 7.6328 7.5662 7.5890 7.6117 7.5842 PE(16:0e/16:0) 7.7493 7.7670 7.7377 7.7315 7.7433 7.6979 7.9512 7.9525 7.9645 7.9630 7.9233 7.9527 PE(16:0e/17:1) 6.9781 6.8851 6.8909 6.9374 6.8423 6.9375 7.1342 7.2124 7.2929 7.2301 7.2211 7.2173 PE(16:0e/22:3) 6.7507 6.9596 6.7277 6.7101 6.7470 6.8115 7.6922 7.7072 7.7130 7.6618 7.8593 7.8611 PE(16:0e/22:5) 7.7155 7.7467 7.7433 7.7535 7.7205 7.7307 8.3360 8.3336 8.3382 8.3486 8.3478 8.3579 PE(16:1e/14:0) 7.6705 7.7017 7.6762 7.6612 7.6621 7.6543 7.6357 7.6326 7.6581 7.6215 7.6200 7.6395 PE(16:1e/16:1) 8.2105 8.2399 8.2089 8.2028 8.2057 8.1969 8.2932 8.2972 8.3060 8.2909 8.2930 8.2941 PE(16:1e/18:3) 7.0184 7.0409 6.8985 6.9054 6.9392 6.9260 7.1392 7.1398 7.1466 7.1499 7.1199 7.1619 PE(16:1e/20:5) 9.0899 9.1327 9.1079 9.1174 9.1242 9.0802 9.1241 9.0835 9.1216 9.1188 9.0984 9.1070 PE(16:1e/22:2) 7.9048 7.9183 7.8966 7.8935 7.8923 7.8748 8.1341 8.1213 8.1332 8.1288 8.1393 8.1369 PE(16:1e/22:3) 8.3410 8.3238 8.2525 8.2374 8.3211 8.3181 8.4847 8.4860 8.4937 8.4824 8.4730 8.4664 PE(16:1e/22:4) 8.8515 8.8757 8.8769 8.8699 8.8789 8.8773 9.1228 9.1306 9.1426 9.1633 9.1321 9.1439 PE(18:0/16:0) 8.2551 8.2667 8.2428 8.2523 8.2435 8.2117 8.2848 8.2945 8.3063 8.2859 8.2782 8.2707 PE(18:0/20:4) 8.9628 8.9911 8.9574 8.9728 8.9696 8.9412 9.0475 9.0627 9.0433 9.0531 9.0455 9.0485 PE(18:0e/15:0) 6.7535 6.8503 6.8331 6.4126 6.8339 6.3376 7.0557 7.1755 7.1970 7.1642 7.1577 7.1474 PE(18:0e/16:0) 8.1119 8.1100 8.1159 8.1063 8.1001 8.0909 8.2217 8.2311 8.2421 8.2203 8.2172 8.2256 PE(18:0e/17:1) 6.9647 6.8742 7.0052 6.9052 6.9987 7.0240 7.2804 7.2626 7.2918 7.2889 7.2836 7.3046 PE(18:1/20:4) 8.6428 8.6525 8.6440 8.6420 8.6382 8.6201 8.6355 8.6226 8.6690 8.6494 8.6489 8.6582 PE(18:1/21:1) 7.0105 6.9761 6.7842 7.0082 6.8704 6.8967 6.9477 7.0884 6.9389 7.0845 7.0872 6.9417 PE(18:1/22:0) 7.4371 7.1953 7.0889 7.1184 7.0692 7.3728 7.1123 7.2399 7.1388 7.4825 7.1031 7.1317 PE(18:1/22:1) 7.7260 7.5063 7.4937 7.7447 7.4731 7.4737 7.5409 7.5464 7.5877 7.6674 7.5901 7.6814 PE(18:1/22:4) 7.2913 7.4167 7.3233 7.3369 7.3336 7.3766 7.3897 7.4179 7.3820 7.4058 7.4093 7.4204 PE(18:1/22:5) 7.7335 7.6398 7.6571 7.6630 7.6212 7.2023 7.5374 7.5848 7.7197 7.5561 7.5879 7.6603 PE(18:1e/15:0) 7.5561 7.5850 7.5785 7.5521 7.5580 7.5556 7.5768 7.6004 7.5747 7.5939 7.5963 7.5926 PE(18:1e/20:3) 7.6136 7.6707 7.6379 7.6230 7.6348 7.6374 7.8085 7.8031 7.7760 7.7926 7.8150 7.8055 PE(18:1e/20:5) 8.3020 8.3251 8.3158 8.3176 8.2861 8.2708 8.4305 8.4429 8.4050 8.4191 8.4165 8.4881 PE(18:1e/22:1) 6.5408 6.1073 5.6434 6.2583 6.1561 5.4888 7.6577 7.6291 7.6444 7.6308 7.6309 7.6555 PE(18:2/20:4) 7.4185 7.4860 7.4048 7.5500 7.4538 7.4292 7.4402 7.4437 7.3811 7.4188 7.4574 7.4521 PE(18:2e/16:1) 7.8788 7.8491 7.8299 8.0459 7.8309 8.0480 7.9346 7.9648 8.1659 7.9530 7.9173 8.1763 PE(18:2e/17:1) 7.3956 7.3638 7.1038 7.1188 7.0789 7.3579 7.3207 7.2753 7.3212 7.2895 7.3266 7.5501 PE(18:2e/21:1) 5.3992 5.3717 5.3276 5.2517 5.5996 5.2462 5.7073 5.3717 5.8738 5.8830 5.0076 5.3502 PE(18:2e/22:5) 8.0081 8.0502 8.0159 8.0198 8.0196 8.0000 8.2516 8.2603 8.2745 8.2600 8.2603 8.2698 PE(18:2e/22:6) 8.0114 8.0230 8.0058 8.0072 7.9970 8.0158 8.2180 8.2122 8.1962 8.2188 8.2160 8.2295 PE(18:2e/24:1) 6.8128 6.8909 6.8152 6.8157 6.8703 6.8025 7.0538 7.0974 7.0714 7.0538 7.0821 7.0694 PE(19:1/18:1) 7.6022 7.5511 7.5795 7.5681 7.5676 7.5654 7.6681 7.6732 7.6701 7.6846 7.6553 7.6803 PE(20:0/18:1) 7.8972 7.8661 7.8601 7.9666 7.8039 7.8790 7.8451 7.8438 7.8400 7.8151 7.8381 7.6934 PE(20:0e/18:1) 7.2699 7.2452 7.1642 7.2083 7.2398 7.1779 7.4807 7.5092 5.3706 7.5008 7.4864 7.4975 PE(20:1e/16:0) 8.0143 8.0534 7.9981 8.0164 8.0178 8.0168 7.8461 7.8470 7.8930 7.9143 7.8775 7.8793 PE(20:1e/20:4) 7.5474 7.5641 7.5465 7.5606 7.5397 7.5327 7.7659 7.7444 7.7821 7.7492 7.7481 7.7734 PE(20:1e/22:5) 7.1626 7.1907 7.1483 7.1873 7.1338 7.1550 7.5138 7.4969 7.5125 7.5033 7.5129 7.5414 PE(20:2e/22:5) 6.9439 6.9858 6.9670 6.9094 6.9318 6.9203 7.1770 7.1888 7.2378 7.1814 7.2202 7.1985 PE(26:0/18:1) 6.6636 6.6738 6.6183 6.6136 6.6306 6.5731 6.7212 6.7212 6.6986 6.7175 6.7488 6.7546 PE(26:1/18:1) 6.7817 6.8006 6.8121 6.7984 6.8280 6.8020 6.7528 6.7667 6.8799 6.7755 6.8091 6.8731 PE(32:1/18:1) 6.7494 6.7944 6.7584 6.7542 6.7529 6.7541 6.8015 6.8363 6.7974 6.8397 6.8426 6.8210 PE(32:1/22:5) 7.1822 7.2506 7.1832 7.2160 7.2058 7.2045 7.2609 7.2605 7.2597 7.2431 7.2495 7.3052 PEt(16:0/16:1) 8.3374 8.3166 8.3005 8.3350 8.4269 8.3725 8.1823 8.2023 8.1655 8.1523 8.0911 8.1699 PEt(18:0/16:1) 8.0823 8.0862 8.0692 8.0769 8.0631 8.0869 8.0633 7.9217 7.9153 7.8969 7.9192 7.8779 PEt(20:1e/20:4) 7.8883 7.8067 7.8525 7.8826 7.8704 7.8684 8.0847 8.0459 8.0989 8.0969 8.0785 8.1131 PG(14:0/14:0) 7.3054 7.3227 7.2853 7.3059 7.2900 7.2740 7.2843 7.2693 7.2898 7.2780 7.2970 7.2689 PG(16:0/22:6) 6.8876 6.8746 6.7940 6.8375 6.8325 6.6669 6.8647 6.9003 7.1466 6.9676 6.8941 6.8858 PG(16:1/16:1) 7.3708 7.4240 7.3336 7.4025 7.3892 7.3925 7.5927 7.5948 7.5919 7.5824 7.5913 7.5910 PG(16:1/20:4) 6.6065 6.5585 6.8494 6.5560 6.6634 6.5905 6.7462 6.8045 6.6534 7.0633 6.7567 7.0802 PG(17:1/14:0) 6.8973 6.8964 6.8481 6.8679 6.8923 6.8656 7.0772 7.0905 7.0745 7.0636 7.0761 7.0600 PG(17:1/16:0) 7.8935 7.8935 7.8665 7.8772 7.8728 7.8499 8.0315 8.0296 8.0475 8.0348 8.0426 8.0490 PG(17:1/22:6) 6.1564 6.1179 6.1422 6.1375 6.1021 6.2232 6.9646 6.9409 6.9552 6.9734 6.9627 6.9702 PG(18:1/14:0) 8.3522 8.3842 8.3811 8.3648 8.3907 8.3596 8.4745 8.4740 8.4952 8.4878 8.4637 8.4858 PG(18:1/20:4) 7.7182 7.7524 7.7303 7.6691 7.7018 7.6785 7.9212 7.9348 7.9990 7.9768 7.9435 7.9330 PG(18:1/20:5) 7.3137 7.2531 7.2687 7.2998 7.2084 7.1672 7.7266 7.7354 7.7410 7.7325 7.7423 7.4946 PG(20:2/22:6) 6.6632 6.6714 6.6550 6.6933 6.6642 6.6728 7.4374 7.4223 7.4459 7.4254 7.4674 7.4167 PG(20:4/22:6) 6.9459 6.9443 6.9419 6.9855 6.9407 6.9197 7.7557 7.7484 7.7623 7.7487 7.7505 7.7469 PG(20:5/22:6) 6.4013 6.3473 6.3318 6.3194 6.3304 6.3703 7.0888 7.1018 7.0999 7.0811 7.0910 7.0866 PG(22:5/22:6) 7.2445 7.1320 7.1293 7.1146 7.1529 7.1536 7.9782 7.9713 8.0067 7.9832 7.9789 8.0023 phSM(d20:1/18:1) 8.0436 8.0566 7.9135 8.0349 7.8714 8.0202 7.9499 8.0303 7.9773 8.0189 7.9885 8.0116 phSM(t18:1/20:4) 7.1580 7.1813 7.1249 6.9519 7.1644 7.1640 7.1366 7.1067 7.1583 7.1310 6.9407 7.1059 PI(16:0/16:0) 7.5194 7.5388 7.5197 6.9784 7.5183 7.5777 7.3289 7.3078 7.5644 7.5323 7.5112 7.5746 PI(16:0/20:4) 8.3514 8.3963 8.3612 8.3416 8.3730 8.3300 8.5145 8.5300 8.5626 8.5528 8.5790 8.5447 PI(16:0e/22:4) 6.5767 6.6809 6.5748 6.4880 6.5652 6.5970 7.0755 7.0910 7.1697 7.0463 7.1091 7.0631 PI(16:1/18:1) 8.1628 8.2121 8.1837 8.1679 8.1950 8.1568 8.3866 7.9675 7.8387 8.4037 8.4235 8.4037 PI(16:1/18:2) 6.6927 5.9832 6.7397 6.7518 6.8097 6.6461 7.2102 7.0875 7.0686 7.2216 7.1344 7.1993 PI(16:1/20:5) 6.8057 6.7711 6.8290 6.8101 6.7840 6.7563 6.7708 6.7717 6.7467 6.7990 6.8615 6.7402 PI(17:0/20:2) 7.2637 7.2035 7.2561 7.1926 7.2592 7.2322 7.2842 7.2292 7.2828 7.1603 7.3069 7.2112 PI(18:0/16:1) 8.0132 8.0814 7.8268 7.9732 7.9878 8.0016 7.9980 7.6193 8.0268 7.9784 7.9673 8.0351 PI(18:0/20:2) 8.0007 8.0417 8.0131 8.0167 7.9700 8.0158 7.7599 7.8246 7.8147 7.7773 7.8095 7.8133 PI(18:0/20:3) 8.6626 8.6620 8.6222 8.6424 8.6271 8.6395 8.6391 8.6537 8.6787 8.6631 8.6530 8.6425 PI(18:0/22:6) 7.9632 7.9751 7.9431 7.9677 7.9846 7.9595 7.8314 7.8745 7.8576 7.8612 7.9025 7.8807 PI(18:1/18:1) 8.2246 8.2304 8.1955 8.1955 8.2155 8.1976 8.2066 8.2874 8.2247 8.2602 8.2158 8.2329 PI(18:1/20:5) 7.5557 7.5668 7.5338 7.5633 7.5621 7.5245 7.8260 7.8728 7.8403 7.8149 7.8242 7.8468 PI(18:1/22:4) 6.9653 7.0438 7.1898 7.0315 7.0617 7.0076 7.2183 7.1588 7.1693 7.0249 7.1663 7.1456 PI(19:0/20:3) 7.9100 7.9135 7.8903 7.9154 7.9084 7.8943 7.8207 7.8398 7.8301 7.8315 7.8440 7.8466 PS(16:0/16:0) 7.2006 7.2668 7.2878 7.3112 7.3317 7.3180 7.1162 7.0936 7.0845 7.0782 7.1458 7.1113 PS(16:1/18:1) 7.9140 7.9414 7.9151 7.9144 7.9154 7.9051 8.0076 8.0158 8.0082 8.0102 7.9981 7.9926 PS(16:1/18:3) 5.8521 7.0901 7.1081 5.9819 6.1300 7.0901 6.6401 6.4386 6.8018 6.7466 5.6006 6.7364 PS(16:1/19:0) 6.8576 6.8370 7.2889 7.0481 6.4137 7.4234 8.0048 8.5053 7.5187 6.5938 8.0597 7.0185 PS(16:1/20:4) 7.1746 7.2155 7.1997 7.1876 7.1868 7.2331 7.0424 7.0430 6.7458 7.0398 6.9871 7.0432 PS(16:1e/20:3) 8.0987 8.1138 8.0890 8.0892 8.0988 8.0716 7.8754 7.8926 7.9007 7.9002 7.8992 7.9123 PS(16:2e/22:4) 6.1333 5.3660 6.2186 6.1987 6.2008 5.8098 6.4316 6.4544 6.4620 6.4619 6.3793 6.1398 PS(17:0/14:0) 7.8963 7.9246 7.9083 7.8768 7.8953 7.8756 7.9359 7.9280 7.9484 7.9315 7.9279 7.8696 PS(17:0/22:5) 6.8136 6.8281 6.8702 6.8074 6.8640 6.7807 6.8257 6.8139 6.8525 6.9014 6.8543 6.8467 PS(18:0/20:3) 8.5141 8.5480 8.5119 8.5247 8.5118 8.5222 8.5184 8.5162 8.5307 8.5088 8.5134 8.5279 PS(18:0/20:4) 8.7594 8.7959 8.7528 8.7788 8.7925 8.7520 8.8285 8.7820 8.8331 8.8254 8.8122 8.8140 PS(18:0/20:5) 7.6593 7.7007 7.6726 7.6855 7.6450 7.6560 7.5800 7.5928 7.6209 7.5652 7.6168 7.5624 PS(18:0/22:5) 8.3213 8.3432 8.3151 8.3312 8.3367 8.2968 8.4653 8.4392 8.4761 8.4425 8.4466 8.4458 PS(18:0e/18:1) 7.1911 7.1886 7.1975 7.1808 7.1965 7.6392 7.1226 7.0719 7.1248 7.0906 7.1178 7.1510 PS(18:1/20:2) 7.9409 7.9742 7.9658 7.9556 7.9727 7.9338 7.7675 7.7753 7.7874 7.7472 7.7918 7.7866 PS(18:1/21:1) 7.4903 7.4570 7.4527 7.5760 7.3494 7.3754 7.2880 7.4802 7.4017 7.3719 7.4155 7.4112 PS(18:1/22:1) 7.8837 7.9537 7.8944 7.9030 7.9155 7.8519 7.9136 7.9097 7.9661 7.9101 7.9087 7.9088 PS(18:1/24:1) 7.6697 7.6645 7.6480 7.6454 7.6506 7.6653 7.6243 7.6484 7.6595 7.6616 7.6720 7.6613 PS(18:1e/22:5) 6.7128 6.7440 6.6489 6.6336 6.5627 6.7928 6.6632 6.5203 6.6084 6.6296 6.5217 6.6778 PS(18:3e/16:0) 7.6721 7.7037 7.6665 7.6549 7.6859 7.6644 7.3548 7.3912 7.3760 7.3966 7.3809 7.4023 PS(18:3e/22:4) 7.7787 7.7868 7.7975 7.7626 7.7639 7.7938 7.7500 7.7699 7.7732 7.7778 7.7587 7.7954 PS(19:0/14:0) 8.1009 7.6087 8.1315 8.3678 8.4408 8.4262 8.6622 8.6727 8.6844 8.4711 8.6784 8.6676 PS(19:0/20:4) 7.5742 7.6193 7.6048 7.5782 7.5819 7.5588 7.8870 7.9118 7.8829 7.8536 7.8761 7.8732 PS(19:1/18:0) 7.6114 7.6167 7.6593 7.6205 7.6114 7.5642 7.6083 7.6209 7.6686 7.5956 7.6230 7.6489 PS(20:0/22:6) 6.9873 7.0172 6.9986 6.9929 7.0208 6.9673 7.0755 7.0575 6.3145 7.0122 6.9838 7.0156 PS(20:2/20:3) 7.1444 7.1442 7.1439 7.1518 7.1198 7.1199 6.8924 6.9738 6.8376 6.9082 6.8711 6.9032 PS(20:2/20:4) 7.7330 7.7588 7.7230 7.7113 7.7239 7.6932 7.5369 7.5455 7.5453 7.5724 7.5480 7.5713 PS(20:2/22:4) 6.8802 6.9165 6.8979 6.8702 6.7878 6.9368 6.7417 6.7597 6.7820 6.7201 6.7555 6.7813 PS(20:3/20:5) 7.2888 7.3010 7.3689 7.2722 7.2777 7.2836 7.0336 7.0533 7.0577 7.0303 7.0572 7.0639 PS(20:3e/22:4) 7.3021 7.3551 7.3157 7.3407 7.3131 7.3307 7.4926 7.5047 7.5099 7.5577 7.5160 7.5459 PS(25:1/18:1) 7.2841 7.4197 7.2399 7.2926 7.3075 7.1832 7.4224 7.3190 7.3523 7.3738 7.3186 7.5438 SM(d14:0/18:0) 8.0326 8.0645 8.0368 8.0248 7.7142 8.0231 8.2391 8.2473 8.2015 8.1909 8.2090 8.2165 SM(d16:1/14:0) 7.4327 7.4469 7.4276 7.4496 7.4066 7.4146 7.4245 7.4146 7.4115 7.4176 7.4099 7.3884 SM(d18:0/24:1) 8.0397 5.7550 8.0355 7.9417 6.0374 8.0065 8.0804 8.0988 8.0874 7.9686 8.0729 8.0542 SM(d18:1/17:0) 8.2753 8.3002 8.2814 8.2774 8.2646 8.2697 8.1306 8.1278 8.1552 8.1330 8.1421 8.1517 SM(d18:1/19:0) 7.5645 7.6001 7.5860 7.5977 7.5910 7.5616 7.3439 7.3240 7.3122 7.2987 7.3107 7.3359 SM(d18:1/20:0) 8.4217 8.4261 8.4305 8.4080 8.3996 8.3983 8.1953 8.2584 8.2431 8.2212 8.2252 8.2333 SM(d18:1/22:0) 9.2720 9.2743 9.3408 9.4475 9.1855 9.2471 9.2891 9.1983 9.2534 9.2794 9.2187 9.1592 SM(d18:2/24:0) 8.1326 8.1782 8.1305 7.9114 7.7634 8.1455 8.1679 7.7451 7.9447 7.8135 7.7690 7.9481 SM(d18:2/24:1) 8.8771 8.9034 8.7529 8.8711 8.8895 8.8657 8.7188 8.7360 8.7469 8.6157 8.6762 8.7343 SM(d19:1/24:0) 4.9451 5.2543 5.2051 5.5754 7.8595 5.1861 5.6499 5.4235 5.9498 5.5987 5.9948 5.1251 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant Cer(d17:1/16:0) - Cer(d17:1/24:1) - Cer(d18:0/17:0) - Cer(d18:0/23:1) - Cer(d18:0/24:0) - Cer(d18:0/25:1) - Cer(d18:1/23:0) - Cer(d18:1/24:0) C00195 Cer(d18:1/25:1) - CerG2GNAc1(d18:1/24:0) - CerP(d18:1/24:1) - CerP(d18:1/24:2) - CerP(d18:1/25:1) - CerP(m17:1/18:2+O) - CerP(t18:1/25:3) - Cer(t18:0/22:4) - CL(13:0/18:1/22:6/22:6) - CL(14:0/16:0/16:1/20:0) - CL(14:0/18:1/20:4/16:0) - CL(14:0/22:0/15:0/22:3) - CL(17:0/18:1/16:0/18:1) - CL(17:0/18:1/18:0/18:1) - CL(17:0/18:1/18:1/18:1) - CL(17:0/18:1/22:5/16:0) - CL(17:1/18:1/18:1/18:1) - CL(17:1/20:4/14:0/18:1) - CL(18:1/16:0/18:0/18:0) - CL(18:1/16:0/20:3/14:0) - CL(18:1/16:0/20:4/18:0) - CL(18:1/16:1/18:2/16:0) - CL(18:1/18:0/18:0/18:0) - CL(18:1/18:0/18:1/18:1) - CL(18:1/18:1/18:1/18:1) - CL(18:1/18:1/20:4/18:0) - CL(18:2/14:0/18:1/20:4) - CL(18:2/16:1/18:1/18:1) - CL(19:0/20:4/16:0/16:0) - CL(20:4/16:1/18:0/20:4) - CL(20:4/20:3/16:0/20:1) - CL(20:5/16:0/20:4/22:0) - CL(21:0/14:0/16:0/22:2) - CL(21:0/14:0/18:2/18:0) - CL(21:0/20:3/16:0/20:0) - CL(21:0/20:4/16:1/20:0) - CL(21:0/22:5/22:5/22:5) - CL(21:0/22:5/22:6/22:6) - CL(21:1/22:6/22:6/22:6) - CL(22:0/16:0/18:0/18:1) - CL(22:1/18:0/16:0/18:1) - CL(22:3/18:0/18:0/20:4) - CL(22:4/18:0/18:1/20:4) - CL(22:6/22:6/18:1/14:0) - CL(23:0/14:0/16:1/24:1) - CL(23:0/15:0/16:0/18:1) - CL(23:0/16:0/16:0/16:0) - CL(23:0/16:0/18:0/18:0) - CL(23:1/16:0/18:0/18:1) - CL(24:0/16:0/16:0/18:1) - CL(24:0/16:0/18:0/14:0) - CL(24:0/16:0/18:0/18:0) - CL(24:0/16:0/18:0/18:1) - CL(24:0/16:0/18:1/18:2) - CL(24:0/18:0/18:0/18:1) - CL(24:0/18:0/20:4/20:4) - CL(24:0/18:1/18:1/18:1) - CL(24:1/16:1/18:0/18:0) - CL(24:1/20:0/22:0/24:1) - DLCL(18:2/15:0) - DLCL(22:6/15:0) - dMePE(16:0/14:0) - dMePE(16:0/16:0) - dMePE(16:0/17:0) - dMePE(16:1e/16:1) - dMePE(17:1/16:0) - dMePE(17:1/16:1) - dMePE(18:0/16:0) - dMePE(18:0/20:3) - dMePE(18:0/22:5) - dMePE(18:1/20:4) - dMePE(20:1e/16:0) - dMePE(20:1e/20:4) - dMePE(30:1/22:5) - FA(20:5) - FA(22:4) - FA(22:5) - FA(22:6) - GM2(d16:0/18:1) - GM2(d18:1/16:0+O) - Hex1Cer(d18:0/24:0) - Hex1Cer(d18:0/24:1) - Hex1Cer(d18:1/23:1) - Hex1Cer(d20:0/24:0) - Hex1Cer(t16:0/17:1) - Hex1Cer(t20:0/16:0) - Hex2Cer(d16:0/18:1) - Hex2Cer(d18:1/24:0) - LPC(18:1) C04230 LPE(16:1e) - LPE(18:2e) - MGDG(14:0e/16:1) - MGDG(14:0e/17:0) - MGDG(18:0/16:0p) - MGDG(18:0e/18:1) - MGDG(18:1/20:8) - MGDG(20:3e/18:0) - MLCL(14:2/18:0/18:0) - MLCL(14:2/18:1/18:1) - MLCL(18:1/16:0/16:0) - MLCL(18:1/16:0/18:1) - MLCL(23:0/18:1/24:1) - MLCL(23:1/18:2/24:1) - OAHFA(18:0/20:2) - OAHFA(20:4/22:6) - PA(16:0/18:1) C00416 PA(18:0/18:1) - PA(18:0/18:2) C00416 PA(18:1/24:2) - PA(24:0/20:4) - PC(16:0/17:0) - PC(16:0/18:2) - PC(16:0/21:0) - PC(16:0/22:4) - PC(16:0/22:5) - PC(16:0e/14:0) - PC(16:0e/16:1) - PC(16:0e/20:4) - PC(16:0e/22:4) - PC(16:1/22:5) - PC(16:1e/14:0) - PC(16:1e/16:0) - PC(16:1e/18:1) - PC(16:1e/18:2) - PC(16:1e/20:5) - PC(16:1e/22:4) - PC(16:2e/14:0) - PC(17:1/16:0) - PC(17:1/16:1) - PC(18:0/18:0) C00157 PC(18:0/22:3) - PC(18:0/22:5) - PC(18:0e/16:0) - PC(18:1/18:2) - PC(18:1/22:1) - PC(18:1e/15:0) - PC(18:1e/20:4) - PC(18:2e/18:1) - PC(18:2e/20:3) - PC(18:2e/22:4) - PC(18:2e/22:5) - PC(19:1/18:0) - PC(20:1/18:1) - PC(20:2e/18:0) - PC(30:1/20:4) - PC(30:1/22:5) - PC(32:1/20:4) - PE(16:0/14:0) C00350 PE(16:0/18:2) - PE(16:0/20:5) - PE(16:0e/16:0) - PE(16:0e/17:1) - PE(16:0e/22:3) - PE(16:0e/22:5) - PE(16:1e/14:0) - PE(16:1e/16:1) - PE(16:1e/18:3) - PE(16:1e/20:5) - PE(16:1e/22:2) - PE(16:1e/22:3) - PE(16:1e/22:4) - PE(18:0/16:0) C00350 PE(18:0/20:4) - PE(18:0e/15:0) - PE(18:0e/16:0) - PE(18:0e/17:1) - PE(18:1/20:4) - PE(18:1/21:1) - PE(18:1/22:0) - PE(18:1/22:1) - PE(18:1/22:4) - PE(18:1/22:5) - PE(18:1e/15:0) - PE(18:1e/20:3) - PE(18:1e/20:5) - PE(18:1e/22:1) - PE(18:2/20:4) - PE(18:2e/16:1) - PE(18:2e/17:1) - PE(18:2e/21:1) - PE(18:2e/22:5) - PE(18:2e/22:6) - PE(18:2e/24:1) - PE(19:1/18:1) - PE(20:0/18:1) - PE(20:0e/18:1) - PE(20:1e/16:0) - PE(20:1e/20:4) - PE(20:1e/22:5) - PE(20:2e/22:5) - PE(26:0/18:1) - PE(26:1/18:1) - PE(32:1/18:1) - PE(32:1/22:5) - PEt(16:0/16:1) - PEt(18:0/16:1) - PEt(20:1e/20:4) - PG(14:0/14:0) - PG(16:0/22:6) - PG(16:1/16:1) - PG(16:1/20:4) - PG(17:1/14:0) - PG(17:1/16:0) - PG(17:1/22:6) - PG(18:1/14:0) - PG(18:1/20:4) - PG(18:1/20:5) - PG(20:2/22:6) - PG(20:4/22:6) - PG(20:5/22:6) - PG(22:5/22:6) - phSM(d20:1/18:1) - phSM(t18:1/20:4) - PI(16:0/16:0) C00626 PI(16:0/20:4) - PI(16:0e/22:4) - PI(16:1/18:1) C00626 PI(16:1/18:2) - PI(16:1/20:5) - PI(17:0/20:2) - PI(18:0/16:1) - PI(18:0/20:2) - PI(18:0/20:3) - PI(18:0/22:6) - PI(18:1/18:1) C00626 PI(18:1/20:5) - PI(18:1/22:4) - PI(19:0/20:3) - PS(16:0/16:0) C02737 PS(16:1/18:1) - PS(16:1/18:3) - PS(16:1/19:0) - PS(16:1/20:4) - PS(16:1e/20:3) - PS(16:2e/22:4) - PS(17:0/14:0) - PS(17:0/22:5) - PS(18:0/20:3) - PS(18:0/20:4) C02737 PS(18:0/20:5) - PS(18:0/22:5) C02737 PS(18:0e/18:1) - PS(18:1/20:2) - PS(18:1/21:1) - PS(18:1/22:1) - PS(18:1/24:1) - PS(18:1e/22:5) - PS(18:3e/16:0) - PS(18:3e/22:4) - PS(19:0/14:0) - PS(19:0/20:4) - PS(19:1/18:0) - PS(20:0/22:6) - PS(20:2/20:3) - PS(20:2/20:4) - PS(20:2/22:4) - PS(20:3/20:5) - PS(20:3e/22:4) - PS(25:1/18:1) - SM(d14:0/18:0) - SM(d16:1/14:0) - SM(d18:0/24:1) C00550 SM(d18:1/17:0) - SM(d18:1/19:0) - SM(d18:1/20:0) C00550 SM(d18:1/22:0) - SM(d18:2/24:0) - SM(d18:2/24:1) - SM(d19:1/24:0) - METABOLITES_END #END