#METABOLOMICS WORKBENCH Ikari_20210730_064032 DATATRACK_ID:2780 STUDY_ID:ST001894 ANALYSIS_ID:AN003075 PROJECT_ID:000000 VERSION 1 CREATED_ON August 2, 2021, 5:54 pm #PROJECT PR:PROJECT_TITLE Mass Spectrometric Data of Cardiolipin in Mice under Mieap Expression PR:PROJECT_SUMMARY Mass spectrometric data of Cardiolipin in Mouse kidney (Mieap-WT vs. Mieap-KO) PR:PROJECT_SUMMARY and liver (Mieap-WT vs. Mieap-KO). PR:INSTITUTE National Cancer Center Japan Research Institute PR:LAST_NAME Ikari PR:FIRST_NAME Naoki PR:ADDRESS 5-1-1 Tsukiji, Chuo-ku, Tokyo 104-0045, Japan PR:EMAIL nikari@ncc.go.jp PR:PHONE +81-3-3542-2511 #STUDY ST:STUDY_TITLE Involvement of Mieap in cardiolipin metabolism (part II) ST:STUDY_SUMMARY Mass spectrometric data of Cardiolipin in Mice kidney (Mieap-WT vs. Mieap-KO), ST:STUDY_SUMMARY and Mice liver (Mieap-WT vs. Mieap-KO) ST:INSTITUTE National Cancer Center Japan Research Institute ST:LAST_NAME Ikari ST:FIRST_NAME Naoki ST:ADDRESS 5-1-1 Tsukiji, Chuo-ku, Tokyo 104-0045, Japan ST:EMAIL nikari@ncc.go.jp ST:PHONE +81-3-3542-2511 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6J Mieap-WT and Mieap-KO SU:AGE_OR_AGE_RANGE 22-25 weeks of age SU:GENDER Male SU:ANIMAL_HOUSING housed at 22 ± 2°C SU:ANIMAL_LIGHT_CYCLE a 12 h light/dark cycle SU:ANIMAL_FEED free access to CE-2 (CLEA Japan) SU:ANIMAL_WATER free access to water #FACTORS #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 - Kidney Mieap WT 1 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - Kidney Mieap KO 1 Genotype:Mieap-knockout SUBJECT_SAMPLE_FACTORS - Kidney Mieap WT 2 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - Kidney Mieap KO 2 Genotype:Mieap-knockout SUBJECT_SAMPLE_FACTORS - Liver Mieap WT 1 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - Liver Mieap KO 1 Genotype:Mieap-knockout SUBJECT_SAMPLE_FACTORS - Liver Mieap WT 2 Genotype:Wild-type SUBJECT_SAMPLE_FACTORS - Liver Mieap KO 2 Genotype:Mieap-knockout #COLLECTION CO:COLLECTION_SUMMARY The mouse tissues were snap-frozen in liquid nitrogen after weight measurement, CO:COLLECTION_SUMMARY and subsequently stored at -80°C until lipidomic analysis. CO:SAMPLE_TYPE Kidney and liver CO:VOLUMEORAMOUNT_COLLECTED 53.6-139.4mg CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY The Mieap-knockout (Mieap-/-) mice were generated by using the Cre/loxP TR:TREATMENT_SUMMARY recombination system as previously reported[1]. Briefly, the floxed and trapped TR:TREATMENT_SUMMARY alleles were generated using a single construct bearing a gene-trap cassette TR:TREATMENT_SUMMARY doubly flanked by LoxP and FRT located between exons 5 and 8 of the mouse Mieap TR:TREATMENT_SUMMARY gene, which is located on chromosome 5. The Mieap homozygous (Mieap-/-) TR:TREATMENT_SUMMARY deficient mice were generated by mating breeding pairs of the Mieap heterozygous TR:TREATMENT_SUMMARY (Mieap+/-) mice. All mice were housed at 22 ± 2°C with a 12 h light/dark cycle TR:TREATMENT_SUMMARY with free access to food, CE-2 (CLEA Japan) and water. [1]Tsuneki, M., Nakamura, TR:TREATMENT_SUMMARY Y., Kinjo, T., Nakanishi, R., and Arakawa, H. (2015). Mieap suppresses murine TR:TREATMENT_SUMMARY intestinal tumor via its mitochondrial quality control. Sci. Rep. 5, 12472. TR:TREATMENT Knockout TR:ANIMAL_FASTING None TR:TREATMENT_COMPOUND None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Total lipids were extracted from samples using the Bligh-Dyer method. An aliquot SP:SAMPLEPREP_SUMMARY of the organic phase was added to an equal volume of methanol before being SP:SAMPLEPREP_SUMMARY loaded onto a DEAE-cellulose column (Wako Chemical) pre-equilibrated with SP:SAMPLEPREP_SUMMARY chloroform. After successive washes with chloroform/methanol (1:1, v/v), acidic SP:SAMPLEPREP_SUMMARY phospholipids were eluted with chloroform/methanol/HCl/water (12:12:1:1, v/v), SP:SAMPLEPREP_SUMMARY followed by evaporation to dryness to yield a residue was soluble in methanol. SP:EXTRACTION_METHOD the Bligh-Dyer method #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY An aliquot of the lower/organic phase was added with an equal volume of methanol CH:CHROMATOGRAPHY_SUMMARY before being loaded onto a DEAE-cellulose column (Wako chemical) CH:CHROMATOGRAPHY_SUMMARY pre-equilibrated with chloroform. After successive washes with CH:CHROMATOGRAPHY_SUMMARY chloroform/methanol (1:1, v/v), the acidic phospholipids were eluted with CH:CHROMATOGRAPHY_SUMMARY chloroform/methanol/HCl/water (12:12:1:1, v/v), followed by evaporation to CH:CHROMATOGRAPHY_SUMMARY dryness to give a residue, which was resolved in methanol. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME UltiMate 3000 (Thermo Fisher Scientific) CH:COLUMN_NAME Waters XBridge C18 (150 x 1.0mm, 3.5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Analyses were performed on a LC/MS/MS system consisting of a Q-Exactive Plus MS:MS_COMMENTS mass spectrometer (Thermo Fisher Scientific) equipped with an electrospray MS:MS_COMMENTS ionization source, and an UltiMate 3000 system (Thermo Fisher Scientific). The MS:MS_COMMENTS lipid samples were separated on Waters X-Bridge C18 column (3.5 μm, 150 mm × MS:MS_COMMENTS 1.0 mm i.d.) at 40°C using a gradient solvent system as follows: mobile phase A MS:MS_COMMENTS (isopropanol/methanol/water (5:1:4, v/v/v) supplemented with 5 mM ammonium MS:MS_COMMENTS formate and 0.05% ammonium hydroxide (28% in water))/mobile phase B (isopropanol MS:MS_COMMENTS supplemented with 5 mM ammonium formate and 0.05% ammonium hydroxide (28% in MS:MS_COMMENTS water)) ratios of 60%/40% (0 min), 40%/60% (1 min), 20%/80% (9 min), 5%/95% MS:MS_COMMENTS (11-30 min), 95%/5% (31-35 min) and 60%/40% (45 min). Flow rate was 25 μL/min. MS:MS_COMMENTS The source and ion transfer parameters applied were as followed: spray voltage MS:MS_COMMENTS 3.0 kV. For negative ionization modes, the sheath gas and the capillary MS:MS_COMMENTS temperature were maintained at 60 and 320 °C, respectively. The Orbitrap mass MS:MS_COMMENTS analyzer was operated at a resolving power of 70,000 in full-scan mode (scan MS:MS_COMMENTS range: 200–1800 m/z; automatic gain control (AGC) target:3e6) and of 35,000 in MS:MS_COMMENTS the Top 20 data-dependent MS2 mode (stepped normalized collision energy: 20, 30 MS:MS_COMMENTS and 40; isolation window: 4.0 m/z; AGC target: 1e5). Identification of CL MS:MS_COMMENTS molecular species was performed using with LipidSearch4.2 software (Mitsui MS:MS_COMMENTS knowledge industry). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg MS_METABOLITE_DATA_START Samples Kidney Mieap WT 1 Kidney Mieap KO 1 Kidney Mieap WT 2 Kidney Mieap KO 2 Liver Mieap WT 1 Liver Mieap KO 1 Liver Mieap WT 2 Liver Mieap KO 2 Factors Genotype:Wild-type Genotype:Mieap-knockout Genotype:Wild-type Genotype:Mieap-knockout Genotype:Wild-type Genotype:Mieap-knockout Genotype:Wild-type Genotype:Mieap-knockout CL(12:0_14:0_14:0_14:0) 0.449018771 0.449019608 0.465145934 0.432112366 0.426734349 0.407203907 0.393571429 0.445303384 CL(12:0_14:1_14:1_15:1) 0.44112628 0.317948718 0.362000567 0.266317819 0.502030457 0.557794058 0.395535714 0.469515753 CL(14:1_14:1_14:1_14:1) 1.155716724 0.658220211 0.715500142 0.527678326 1.16751269 1.432844933 0.952142857 1.137543757 CL(10:0_20:3_14:0_14:0) 6.218003413 8.185520362 8.061773874 8.726246213 8.849407783 8.142043142 9.646428571 8.32117853 CL(12:3_18:2_14:1_15:1) 0.267491468 0.356108597 0.327713233 0.244423024 0.30998308 0.019652015 0.485535714 0.581826138 CL(15:0_16:1_15:0_16:1) 0.273250853 0.277978884 0.264097478 0.247177086 0.201015228 0.178612129 0.206071429 0.187427071 CL(18:4_15:0_15:0_15:0) 6.917662116 6.22775264 6.126381411 5.955659598 5.85786802 6.501831502 5.869642857 5.172112019 CL(16:0_16:0_16:0_16:0) 0.149040102 0.148642534 0.252621139 0.25130818 0 0 0 0 CL(14:0_16:0_16:0_18:1) 0.358148464 0.32428356 0.350240861 0.307904159 0 0 0 0 CL(18:2_14:0_16:0_16:1) 0.322738908 0.294268477 0.236752621 0.21550537 0.271912014 0.194749695 0.229642857 0.216015169 CL(16:0_16:0_16:0_18:1) 1.273464164 1.35520362 1.864550864 1.689617185 0 0 0 0 CL(16:0_16:0_16:0_18:2) 1.273037543 1.184012066 1.391470672 1.321261361 0 0 0 0 CL(18:1_16:0_16:0_16:1) 0 0 0 0 1.149576988 0.747252747 0.610892857 0.475641774 CL(18:2_14:0_16:0_18:1) 1.385025597 1.131221719 0.85548314 0.777471771 1.474111675 1.049043549 1.083571429 0.88987748 CL(18:2_14:0_16:0_18:2) 1.096843003 0.898190045 0.635165769 0.659873313 0 0 0 0 CL(18:2_14:0_16:1_18:1) 0 0 0 0 1.214890017 0.874643875 1.215178571 1.129084014 CL(18:2_14:0_16:1_18:2) 0.803114334 0.918401207 0.687446869 0.693610576 0 0 0 0 CL(18:2_16:1_16:1_16:1) 0 0 0 0 1.28037225 0.913715914 1.933928571 1.584014002 CL(18:2_12:0_18:2_18:2) 0.325725256 0.384766214 0.328563332 0.330349766 0.308460237 0.241147741 0.49 0.421528588 CL(15:0_18:1_16:0_18:1) 0.229308874 0.236500754 0.211674695 0.18493528 0 0 0 0 CL(18:2_16:0_15:0_18:1) 0.287116041 0.257164404 0.204165486 0.17033875 0 0 0 0 CL(18:2_16:1_15:0_18:1) 0 0 0 0 0.249915398 0.196418396 0.293035714 0.250437573 CL(18:2_15:0_16:1_18:2) 0 0 0 0 0.205245347 0.126862027 0.294464286 0.245915986 CL(14:2_22:6_16:1_15:0) 0 0 0 0 0.173434856 0.33048433 0.146785714 0.144792882 CL(16:0_18:0_16:0_18:1) 0.190337031 0.174811463 0.210824596 0.195676122 0 0 0 0 CL(18:1_16:0_16:0_18:1) 7.478668942 8.518853695 8.557665061 7.551638667 4.85786802 3.787138787 3.053571429 1.977829638 CL(18:2_16:0_16:0_18:1) 9.296075085 9.164404223 8.160952111 7.416689617 0 0 0 0 CL(18:1_16:0_16:1_18:1) 0 0 0 0 6.86463621 5.610500611 5.507142857 4.006709452 CL(18:2_16:0_16:0_18:2) 3.94837884 3.30015083 2.602720317 2.356100248 0 0 0 0 CL(18:2_16:0_16:1_18:1) 2.103668942 1.852187029 1.365826013 1.37565409 6.856175973 5.683760684 6.292857143 5.053967328 CL(18:3_16:0_16:0_18:1) 0.261732082 0.290799397 0.374468688 0.350041311 0 0 0 0 CL(18:2_14:0_18:2_18:1) 4.45605802 4.187028658 3.085860017 3.209859543 0 0 0 0 CL(18:2_16:1_16:1_18:1) 0 0 0 0 5.492385787 4.580789581 6.851785714 5.557176196 CL(14:0_16:0_16:0_22:6) 0.26109215 0.216289593 0.196656277 0.158909391 0 0 0 0 CL(18:2_14:0_18:2_18:2) 5.987627986 6.322775264 4.936242562 5.342880749 0 0 0 0 CL(18:2_16:1_16:1_18:2) 0 0 0 0 9.871404399 8.089133089 14.24464286 11.16102684 CL(18:3_14:0_18:2_18:2) 0.501706485 0.570135747 0.43440068 0.466262738 0 0 0 0 CL(18:2_14:1_18:2_18:2) 0 0 0 0 0.81285956 0.686609687 1.332321429 1.094953326 CL(20:5_14:0_18:2_16:1) 0 0 0 0 0.319966159 0.195421245 0.479285714 0.409714119 CL(17:0_18:1_16:0_18:1) 0.268771331 0.277978884 0.256446585 0.24070504 0 0 0 0 CL(17:0_18:1_16:0_18:2) 0.435366894 0.435444947 0.381977897 0.366014872 0 0 0 0 CL(17:1_16:0_18:2_18:1) 0.668088737 0.577677225 0.500283366 0.446571193 0.643147208 0.532153032 0.608035714 0.502771295 CL(18:2_15:0_18:2_18:1) 0.836817406 0.680542986 0.585009918 0.56237951 0.821319797 0.7002442 0.976607143 0.804550758 CL(18:2_15:0_18:2_18:2) 0.853242321 0.667722474 0.621139133 0.610024787 0 0 0 0 CL(17:1_16:1_18:2_18:2) 0 0 0 0 0.742808799 0.629019129 0.963928571 0.802071179 CL(18:2_15:1_18:2_18:2) 0 0 0 0 0.269712352 0.225274725 0.384107143 0.302946324 CL(18:1_16:0_18:0_18:1) 0.421075085 0.410708899 0.385803344 0.370559075 0 0 0 0 CL(20:2_16:0_16:0_18:1) 3.843856655 4.143288084 3.74468688 3.691820435 0 0 0 0 CL(18:1_16:0_18:0_18:2) 0 0 0 0 1.181556684 0.989010989 0.847321429 0.639585764 CL(18:2_18:1_16:0_18:1) 16.08788396 16.44042232 14.56503259 13.54447811 10.17428088 8.371998372 6.771428571 5.405484247 CL(18:2_18:2_16:0_18:1) 1.476749147 1.812971342 1.7242845 1.543651887 1.389678511 1.061253561 0.946607143 0.64046091 CL(18:2_18:1_16:1_18:1) 0 0 0 0 17.27580372 14.56450956 17.41607143 14.47491249 CL(18:2_16:0_18:2_18:2) 2.589590444 2.158371041 2.174837064 2.135775269 1.590862944 1.362433862 1.456785714 1.081096849 CL(18:2_16:1_18:2_18:1) 21.33105802 18.82352941 16.22272598 15.91847976 29.37394247 26.47537648 36.35714286 30.52800467 CL(18:2_16:1_18:2_18:2) 19.79948805 19.7586727 17.92292434 18.01156706 55.58375635 56.20675621 67.41071429 53.54434072 CL(18:2_16:1_22:5_14:0) 0 0 0 0 0.411336717 0.41025641 0.466785714 0.415694282 CL(18:3_16:1_18:2_18:2) 1.631825939 1.736048265 1.354916407 1.399063619 3.685279188 3.194953195 4.726785714 3.75 CL(18:2_16:1_22:6_14:0) 0.899957338 1.022926094 0.786058373 0.797301019 0 0 0 0 CL(20:5_16:1_18:2_16:1) 0 0 0 0 1.866328257 1.502442002 2.532142857 2.116394399 CL(22:6_16:1_18:2_14:1) 0 0 0 0 0.2 0.157753358 0.330178571 0.286026838 CL(19:1_16:0_18:2_18:1) 0.465656997 0.482051282 0.401246812 0.403745525 0 0 0 0 CL(17:1_18:1_18:2_18:1) 0.991040956 0.911463047 0.807877586 0.7964748 0.79001692 0.625763126 0.744464286 0.672695449 CL(17:1_18:2_18:2_18:1) 1.412116041 1.138914027 1.152451119 1.057697604 1.710659898 1.36955637 1.778392857 1.579638273 CL(17:1_18:2_18:2_18:2) 1.683020478 1.396078431 1.385519977 1.353483889 2.604060914 2.354497354 2.710714286 2.341015169 CL(18:2_18:2_20:4_15:0) 0.26087884 0.274358974 0.261405497 0.252272101 0 0 0 0 CL(17:1_18:2_20:4_16:1) 0 0 0 0 0.742978003 0.785103785 0.738571429 0.60457993 CL(20:2_16:0_18:0_18:2) 2.101322526 2.119155354 1.887220176 1.944367943 0 0 0 0 CL(20:2_16:0_18:2_18:1) 11.22653584 11.25490196 12.06857467 12.04076012 0 0 0 0 CL(18:2_18:1_18:1_18:1) 0 0 0 0 3.717428088 2.995522996 3.758928571 3.659568261 CL(16:0_20:3_18:2_18:1) 1.986561433 1.805429864 1.711533012 1.662076563 0.660744501 0.530932031 0.524464286 0.446907818 CL(18:2_18:1_18:1_18:2) 73.2721843 65.58069382 69.08472655 65.83585789 40.03384095 35.02238502 39.53571429 35.457993 CL(18:2_18:2_18:2_18:1) 141.4889078 118.3257919 111.1504676 103.9658496 99.00169205 100.8140008 103.1785714 88.57934656 CL(22:6_16:0_16:0_18:1) 10.70819113 8.998491704 9.124397846 8.450839989 0 0 0 0 CL(18:2_16:0_16:0_22:6) 10.07039249 6.805429864 5.671578351 5.414486367 0 0 0 0 CL(18:2_18:2_16:0_20:4) 11.34172355 7.431372549 6.19013885 5.900578353 0 0 0 0 CL(18:2_18:2_18:2_18:2) 193.6433447 163.0467572 135.8741853 136.2021482 159.0862944 184.2287342 174.3035714 142.2987165 CL(18:3_18:2_18:2_18:2) 9.404863481 8.66214178 9.572116747 9.640594877 14.20473773 14.82498982 15.37857143 12.71003501 CL(18:2_14:0_18:2_22:6) 1.784556314 1.981900452 1.312694814 1.741944368 0 0 0 0 CL(18:4_18:2_18:2_18:2) 0.712244027 0.75158371 0.65556815 0.750206555 1.353637902 1.188034188 1.592857143 1.560676779 CL(20:5_18:2_18:2_16:1) 2.372013652 1.935143288 1.663360725 1.534012669 0 0 0 0 CL(18:3_18:2_20:4_16:1) 0 0 0 0 5.324873096 5.834350834 6.607142857 5.014585764 CL(18:4_18:2_20:4_16:1) 0.357081911 0.472699849 0.369651459 0.378408152 0.808798646 0.688848189 0.995 0.808488915 CL(19:1_18:2_18:1_18:2) 1.183020478 1.104826546 1.054831397 1.072844946 0.768527919 0.558404558 0.508035714 0.488185531 CL(17:0_18:1_16:0_22:6) 0.383319113 0.377677225 0.356049872 0.351005233 0 0 0 0 CL(19:1_18:2_18:2_18:2) 1.79394198 1.461840121 1.442334939 1.361746075 1.343993232 1.164428164 1.032142857 0.951283547 CL(17:1_20:3_18:2_18:2) 0 0 0 0 0.44213198 0.452177452 0.49 0.446616103 CL(17:1_18:2_22:5_16:1) 0 0 0 0 0.274450085 0.254171754 0.29875 0.262106184 CL(17:1_18:2_16:1_22:6) 0 0 0 0 0.295769882 0.272690273 0.287142857 0.26050175 CL(18:2_20:4_15:0_20:4) 0.198421502 0.137360483 0.130036838 0.120380061 0 0 0 0 CL(18:2_18:1_20:0_18:2) 0.672994881 0.66907994 0.642533296 0.690581107 0 0 0 0 CL(18:2_18:1_18:2_20:1) 5.776450512 5.953242836 6.25531312 6.310933627 1.652284264 1.360805861 1.192857143 1.131709452 CL(18:2_18:1_18:0_20:4) 1.55503413 1.397888386 1.551431 1.532635638 0 0 0 0 CL(20:2_18:2_18:1_18:2) 32.29522184 29.95475113 33.35222443 33.09005784 10.41116751 9.413919414 7.958928571 7.645857643 CL(18:2_18:1_16:0_22:5) 4.726962457 4.292609351 4.424766223 4.421646929 0 0 0 0 CL(20:2_18:2_18:2_18:2) 67.64078498 57.31523379 61.16463587 59.40512256 0 0 0 0 CL(18:2_18:1_18:2_20:3) 0 0 0 0 23.23181049 22.75132275 21.66071429 20.915986 CL(18:2_18:1_16:0_22:6) 18.18046075 15.01659125 14.16123548 13.38336546 7.959390863 7.523402523 8.480357143 7.244749125 CL(18:2_18:2_18:2_20:3) 50.27730375 42.32277526 45.3811278 45.26301294 23.1641286 24.96947497 30.69642857 27.90256709 CL(18:2_18:2_16:0_22:6) 16.52517065 11.57918552 9.533862284 8.795097769 0 0 0 0 CL(18:2_18:2_18:2_20:4) 24.48805461 18.86877828 19.76480589 19.36105756 0 0 0 0 CL(18:3_18:2_18:2_20:3) 0 0 0 0 9.382402707 9.432234432 11.54821429 10.0802217 CL(20:5_18:1_18:2_18:2) 0 0 0 0 9.285956007 10.11803012 10.25178571 8.700408401 CL(18:2_18:2_16:1_22:6) 9.901877133 8.413273002 6.953811278 6.956761223 10.36040609 12.27309727 12.0125 8.939614936 CL(18:3_18:2_16:1_22:6) 1.401450512 1.45505279 1.574100312 1.551914073 0 0 0 0 CL(20:5_18:2_20:4_16:1) 0 0 0 0 2.030456853 2.155067155 1.95 1.680280047 CL(18:4_18:2_16:1_22:6) 0.145456485 0.19653092 0.1897138 0.208207105 0 0 0 0 CL(19:1_18:2_20:3_18:1) 0.270904437 0.239517345 0.28279966 0.273202974 0 0 0 0 CL(24:1_24:1_14:1_14:1) 0.109854949 0.11719457 0.122896005 0.132828422 0 0 0 0 CL(20:2_18:2_18:2_20:1) 0.980588737 1.004675716 1.119297251 1.177637015 0.258714044 0.223036223 0.206785714 0.206242707 CL(20:2_18:2_20:3_18:1) 5.462883959 5.197586727 6.63785775 6.590470945 0.4678511 0.384004884 0.538035714 0.366540257 CL(20:2_18:2_18:2_20:3) 0 0 0 0 0.846869712 0.901709402 1.228571429 1.238914819 CL(20:5_20:1_18:1_18:2) 0 0 0 0 0.501861252 0.394179894 0.378392857 0.36945741 CL(18:2_20:3_18:1_20:3) 1.801834471 1.880844646 1.902805327 1.905811071 0 0 0 0 CL(20:2_18:2_16:0_22:6) 7.318686007 5.963800905 5.976197223 5.852382264 0 0 0 0 CL(18:2_22:5_18:2_18:1) 0 0 0 0 2.595600677 2.393162393 2.182142857 2.123687281 CL(18:2_18:1_18:2_22:6) 7.450938567 5.56561086 5.243695098 5.174882952 3.883248731 4.027269027 3.732142857 3.405775963 CL(18:2_18:2_18:2_22:6) 6.523037543 3.909502262 5.616321904 3.146516111 2.92893401 3.567358567 3.594642857 3.303675613 CL(18:3_18:2_22:6_18:2) 2.22056314 2.060331825 2.215925191 2.226659323 0.541624365 0.574074074 0.606607143 0.655630105 CL(20:5_18:2_16:1_22:6) 1.159129693 1.174509804 1.04873902 1.022858717 0.625380711 0.699226699 0.751785714 0.615373396 CL(20:2_18:2_18:1_22:6) 1.081484642 1.035746606 1.272031737 1.270035803 0 0 0 0 CL(18:2_22:6_18:1_20:3) 1.424701365 0.935294118 0.997308019 0.952492426 0 0 0 0 CL(18:2_20:3_18:2_22:6) 6.902730375 5.073906486 7.060073675 7.080694024 0 0 0 0 CL(18:2_22:6_16:0_22:6) 4.249146758 3.079939668 3.022102579 2.839438171 0 0 0 0 CL(20:5_18:1_18:2_22:6) 0 0 0 0 0.162250423 0.254782255 0.155732143 0.137310385 CL(18:2_22:6_16:1_22:6) 2.32721843 1.695324284 1.81071125 1.686863123 0.779695431 1.028897029 0.827142857 0.747666278 CL(20:5_18:2_18:2_22:6) 0.759385666 0.649472097 0.693964296 0.717846323 0 0 0 0 CL(18:4_20:4_18:2_22:6) 0.295221843 0.317647059 0.349957495 0.337372625 0 0 0 0 CL(20:2_20:3_18:2_22:6) 0.224829352 0.166968326 0.323887787 0.35045442 0 0 0 0 CL(20:4_20:3_18:2_22:6) 0.909343003 0.704374057 0.76197223 0.716469292 0 0 0 0 CL(18:2_22:6_18:2_22:6) 3.611348123 2.435897436 3.372060074 3.364087028 0 0 0 0 CL(22:4_24:1_14:1_22:1) 3.103668942 3.307692308 3.245962029 3.357201873 3.551607445 2.814407814 3.357142857 3.045507585 CL(18:2_22:6_20:3_22:6) 0.088694539 0.060180995 0.167186172 0.17832553 0 0 0 0 CL(20:5_22:6_18:2_22:6) 0.40081058 0.225339367 0.301926891 0.274580006 0 0 0 0 CL(24:1_24:1_20:1_20:4) 0.979948805 1.223076923 1.222867668 1.249518039 1.628595601 0.995319495 1.254821429 1.145274212 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CL(12:0_14:0_14:0_14:0) CL(12:0_14:1_14:1_15:1) CL(14:1_14:1_14:1_14:1) CL(10:0_20:3_14:0_14:0) CL(12:3_18:2_14:1_15:1) CL(15:0_16:1_15:0_16:1) CL(18:4_15:0_15:0_15:0) CL(16:0_16:0_16:0_16:0) CL(14:0_16:0_16:0_18:1) CL(18:2_14:0_16:0_16:1) CL(16:0_16:0_16:0_18:1) CL(16:0_16:0_16:0_18:2) CL(18:1_16:0_16:0_16:1) CL(18:2_14:0_16:0_18:1) CL(18:2_14:0_16:0_18:2) CL(18:2_14:0_16:1_18:1) CL(18:2_14:0_16:1_18:2) CL(18:2_16:1_16:1_16:1) CL(18:2_12:0_18:2_18:2) CL(15:0_18:1_16:0_18:1) CL(18:2_16:0_15:0_18:1) CL(18:2_16:1_15:0_18:1) CL(18:2_15:0_16:1_18:2) CL(14:2_22:6_16:1_15:0) CL(16:0_18:0_16:0_18:1) CL(18:1_16:0_16:0_18:1) CL(18:2_16:0_16:0_18:1) CL(18:1_16:0_16:1_18:1) CL(18:2_16:0_16:0_18:2) CL(18:2_16:0_16:1_18:1) CL(18:3_16:0_16:0_18:1) CL(18:2_14:0_18:2_18:1) CL(18:2_16:1_16:1_18:1) CL(14:0_16:0_16:0_22:6) CL(18:2_14:0_18:2_18:2) CL(18:2_16:1_16:1_18:2) CL(18:3_14:0_18:2_18:2) CL(18:2_14:1_18:2_18:2) CL(20:5_14:0_18:2_16:1) CL(17:0_18:1_16:0_18:1) CL(17:0_18:1_16:0_18:2) CL(17:1_16:0_18:2_18:1) CL(18:2_15:0_18:2_18:1) CL(18:2_15:0_18:2_18:2) CL(17:1_16:1_18:2_18:2) CL(18:2_15:1_18:2_18:2) CL(18:1_16:0_18:0_18:1) CL(20:2_16:0_16:0_18:1) CL(18:1_16:0_18:0_18:2) CL(18:2_18:1_16:0_18:1) CL(18:2_18:2_16:0_18:1) CL(18:2_18:1_16:1_18:1) CL(18:2_16:0_18:2_18:2) CL(18:2_16:1_18:2_18:1) CL(18:2_16:1_18:2_18:2) CL(18:2_16:1_22:5_14:0) CL(18:3_16:1_18:2_18:2) CL(18:2_16:1_22:6_14:0) CL(20:5_16:1_18:2_16:1) CL(22:6_16:1_18:2_14:1) CL(19:1_16:0_18:2_18:1) CL(17:1_18:1_18:2_18:1) CL(17:1_18:2_18:2_18:1) CL(17:1_18:2_18:2_18:2) CL(18:2_18:2_20:4_15:0) CL(17:1_18:2_20:4_16:1) CL(20:2_16:0_18:0_18:2) CL(20:2_16:0_18:2_18:1) CL(18:2_18:1_18:1_18:1) CL(16:0_20:3_18:2_18:1) CL(18:2_18:1_18:1_18:2) CL(18:2_18:2_18:2_18:1) CL(22:6_16:0_16:0_18:1) CL(18:2_16:0_16:0_22:6) CL(18:2_18:2_16:0_20:4) CL(18:2_18:2_18:2_18:2) CL(18:3_18:2_18:2_18:2) CL(18:2_14:0_18:2_22:6) CL(18:4_18:2_18:2_18:2) CL(20:5_18:2_18:2_16:1) CL(18:3_18:2_20:4_16:1) CL(18:4_18:2_20:4_16:1) CL(19:1_18:2_18:1_18:2) CL(17:0_18:1_16:0_22:6) CL(19:1_18:2_18:2_18:2) CL(17:1_20:3_18:2_18:2) CL(17:1_18:2_22:5_16:1) CL(17:1_18:2_16:1_22:6) CL(18:2_20:4_15:0_20:4) CL(18:2_18:1_20:0_18:2) CL(18:2_18:1_18:2_20:1) CL(18:2_18:1_18:0_20:4) CL(20:2_18:2_18:1_18:2) CL(18:2_18:1_16:0_22:5) CL(20:2_18:2_18:2_18:2) CL(18:2_18:1_18:2_20:3) CL(18:2_18:1_16:0_22:6) CL(18:2_18:2_18:2_20:3) CL(18:2_18:2_16:0_22:6) CL(18:2_18:2_18:2_20:4) CL(18:3_18:2_18:2_20:3) CL(20:5_18:1_18:2_18:2) CL(18:2_18:2_16:1_22:6) CL(18:3_18:2_16:1_22:6) CL(20:5_18:2_20:4_16:1) CL(18:4_18:2_16:1_22:6) CL(19:1_18:2_20:3_18:1) CL(24:1_24:1_14:1_14:1) CL(20:2_18:2_18:2_20:1) CL(20:2_18:2_20:3_18:1) CL(20:2_18:2_18:2_20:3) CL(20:5_20:1_18:1_18:2) CL(18:2_20:3_18:1_20:3) CL(20:2_18:2_16:0_22:6) CL(18:2_22:5_18:2_18:1) CL(18:2_18:1_18:2_22:6) CL(18:2_18:2_18:2_22:6) CL(18:3_18:2_22:6_18:2) CL(20:5_18:2_16:1_22:6) CL(20:2_18:2_18:1_22:6) CL(18:2_22:6_18:1_20:3) CL(18:2_20:3_18:2_22:6) CL(18:2_22:6_16:0_22:6) CL(20:5_18:1_18:2_22:6) CL(18:2_22:6_16:1_22:6) CL(20:5_18:2_18:2_22:6) CL(18:4_20:4_18:2_22:6) CL(20:2_20:3_18:2_22:6) CL(20:4_20:3_18:2_22:6) CL(18:2_22:6_18:2_22:6) CL(22:4_24:1_14:1_22:1) CL(18:2_22:6_20:3_22:6) CL(20:5_22:6_18:2_22:6) CL(24:1_24:1_20:1_20:4) METABOLITES_END #END