#METABOLOMICS WORKBENCH purdylab_20221230_115930 DATATRACK_ID:3678 STUDY_ID:ST002421 ANALYSIS_ID:AN003942 PROJECT_ID:PR001559 VERSION 1 CREATED_ON January 3, 2023, 10:19 am #PROJECT PR:PROJECT_TITLE UBXD8 lipidomics from whole cells PR:PROJECT_SUMMARY The intimate association between the endoplasmic reticulum (ER) and PR:PROJECT_SUMMARY mitochondrial membranes at ER-mitochondria contact sites (ERMCS) serves as a PR:PROJECT_SUMMARY platform for several critical cellular processes, in particular lipid synthesis. PR:PROJECT_SUMMARY Enzymes involved in lipid biosynthesis are enriched at contacts and membrane PR:PROJECT_SUMMARY lipid composition at contacts is distinct relative to surrounding membranes. How PR:PROJECT_SUMMARY contacts are remodeled and the subsequent biological consequences of altered PR:PROJECT_SUMMARY contacts such as perturbed lipid metabolism remains poorly understood. Here we PR:PROJECT_SUMMARY investigate if the ER-tethered ubiquitin-X domain adaptor 8 (UBXD8) regulates PR:PROJECT_SUMMARY the lipidome of cells. LC-MS/MS lipidomics found significant changes in distinct PR:PROJECT_SUMMARY lipid species in UBXD8 knockout cells, in particular in saturated or PR:PROJECT_SUMMARY mono-unsaturated lipid species. Perturbation of contacts and inherent lipid PR:PROJECT_SUMMARY synthesis is emerging as a hallmark in a variety of human disorders such as PR:PROJECT_SUMMARY neurodegeneration. Our results suggest that contacts are exquisitely sensitive PR:PROJECT_SUMMARY to alterations to membrane lipid composition and saturation in a manner that is PR:PROJECT_SUMMARY dependent on UBXD8. PR:INSTITUTE University of Arizona PR:DEPARTMENT Immunobiology PR:LABORATORY Purdy Lab PR:LAST_NAME Purdy PR:FIRST_NAME John PR:ADDRESS PO Box 245221, Tucson, Arizona, 85724, USA PR:EMAIL purdylab@gmail.com PR:PHONE 520-626-4371 PR:FUNDING_SOURCE NIH R01 AI162671 PR:CONTRIBUTORS Rakesh Ganji, Joao A. Paulo, Yuecheng Xi, Ian Kline, Jiang Zhu, Christoph S. PR:CONTRIBUTORS Clemen, Conrad C. Weihl, John G. Purdy, Steve P. Gygi, and Malavika Raman #STUDY ST:STUDY_TITLE UBXD8 lipidomics from whole cells (Part 1) ST:STUDY_SUMMARY The intimate association between the endoplasmic reticulum (ER) and ST:STUDY_SUMMARY mitochondrial membranes at ER-mitochondria contact sites (ERMCS) serves as a ST:STUDY_SUMMARY platform for several critical cellular processes, in particular lipid synthesis. ST:STUDY_SUMMARY Enzymes involved in lipid biosynthesis are enriched at contacts and membrane ST:STUDY_SUMMARY lipid composition at contacts is distinct relative to surrounding membranes. How ST:STUDY_SUMMARY contacts are remodeled and the subsequent biological consequences of altered ST:STUDY_SUMMARY contacts such as perturbed lipid metabolism remains poorly understood. Here we ST:STUDY_SUMMARY investigate if the ER-tethered ubiquitin-X domain adaptor 8 (UBXD8) regulates ST:STUDY_SUMMARY the lipidome of cells. LC-MS/MS lipidomics found significant changes in distinct ST:STUDY_SUMMARY lipid species in UBXD8 knockout cells, in particular in saturated or ST:STUDY_SUMMARY mono-unsaturated lipid species. Perturbation of contacts and inherent lipid ST:STUDY_SUMMARY synthesis is emerging as a hallmark in a variety of human disorders such as ST:STUDY_SUMMARY neurodegeneration. Our results suggest that contacts are exquisitely sensitive ST:STUDY_SUMMARY to alterations to membrane lipid composition and saturation in a manner that is ST:STUDY_SUMMARY dependent on UBXD8. ST:INSTITUTE University of Arizona ST:DEPARTMENT Immunobiology ST:LABORATORY Purdy Lab ST:LAST_NAME Purdy ST:FIRST_NAME John ST:ADDRESS PO Box 245221, Tucson, Arizona, 85724, USA ST:EMAIL purdylab@gmail.com ST:PHONE 520-626-4371 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:CELL_STRAIN_DETAILS HEK293T #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 - 20190829_neg_KO_1 Description:UBXD8 Knockout RAW_FILE_NAME=20190829_neg_KO_1.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_neg_KO_2 Description:UBXD8 Knockout RAW_FILE_NAME=20190829_neg_KO_2.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_neg_wt_1 Description:Wild-type RAW_FILE_NAME=20190829_neg_wt_1.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_neg_wt_2 Description:Wild-type RAW_FILE_NAME=20190829_neg_wt_2.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_pos_KO_1 Description:UBXD8 Knockout RAW_FILE_NAME=20190829_pos_KO_1.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_pos_KO_2 Description:UBXD8 Knockout RAW_FILE_NAME=20190829_pos_KO_2.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_pos_wt_1 Description:Wild-type RAW_FILE_NAME=20190829_pos_wt_1.mzXML SUBJECT_SAMPLE_FACTORS - 20190829_pos_wt_2 Description:Wild-type RAW_FILE_NAME=20190829_pos_wt_2.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep2_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191130_neg_rep2_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep2_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191130_neg_rep2_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep2_WT_a Description:Wild-type RAW_FILE_NAME=20191130_neg_rep2_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep2_WT_b Description:Wild-type RAW_FILE_NAME=20191130_neg_rep2_WT_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep3_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191130_neg_rep3_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep3_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191130_neg_rep3_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep3_WT_a Description:Wild-type RAW_FILE_NAME=20191130_neg_rep3_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_neg_rep3_WT_b Description:Wild-type RAW_FILE_NAME=20191130_neg_rep3_WT_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep2_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191130_pos_rep2_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep2_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191130_pos_rep2_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep2_WT_a Description:Wild-type RAW_FILE_NAME=20191130_pos_rep2_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep2_WT_b Description:Wild-type RAW_FILE_NAME=20191130_pos_rep2_WT_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep3_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191130_pos_rep3_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep3_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191130_pos_rep3_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep3_WT_a Description:Wild-type RAW_FILE_NAME=20191130_pos_rep3_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191130_pos_rep3_WT_b Description:Wild-type RAW_FILE_NAME=20191130_pos_rep3_WT_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_neg_rep2_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191230_neg_rep2_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_neg_rep2_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191230_neg_rep2_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_neg_rep2_WT_a Description:Wild-type RAW_FILE_NAME=20191230_neg_rep2_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_neg_rep2_WT_b Description:Wild-type RAW_FILE_NAME=20191230_neg_rep2_WT_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_pos_rep2_KO_a Description:UBXD8 Knockout RAW_FILE_NAME=20191230_pos_rep2_KO_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_pos_rep2_KO_b Description:UBXD8 Knockout RAW_FILE_NAME=20191230_pos_rep2_KO_b.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_pos_rep2_WT_a Description:Wild-type RAW_FILE_NAME=20191230_pos_rep2_WT_a.mzXML SUBJECT_SAMPLE_FACTORS - 20191230_pos_rep2_WT_b Description:Wild-type RAW_FILE_NAME=20191230_pos_rep2_WT_b.mzXML #COLLECTION CO:COLLECTION_SUMMARY Cells were cultured in Dulbecco’s modified Eagle’s medium (DMEM), CO:COLLECTION_SUMMARY supplemented with 10% fetal bovine serum (FBS) and 100 units/mL penicillin and CO:COLLECTION_SUMMARY streptomycin. Cells were maintained in a humidified, 5 % CO2 atmosphere at CO:COLLECTION_SUMMARY 37°C. The CRISPR-Cas9 gene editing system was used to generate UBXD8 knockout CO:COLLECTION_SUMMARY cell lines in HEK293T cells. Cells were grown in 6-well plates for lipidomics. CO:COLLECTION_SUMMARY Cells were washed with PBS, scraped into cold 50% methanol, centrifuged, and the CO:COLLECTION_SUMMARY cell pellets were frozen at -80˚C. Next, cells were resuspended in cold 50% CO:COLLECTION_SUMMARY methanol (1mL) and transferred to glass vials. Chloroform was added (0.5mL) and CO:COLLECTION_SUMMARY the mixture was gently vortexed and centrifuged at 1,000x g for 5 min at 4˚C. CO:COLLECTION_SUMMARY Lipids were transferred to a clean glass vial using a glass Hamilton syringe. CO:COLLECTION_SUMMARY Lipids were extracted twice using chloroform prior to being dried under nitrogen CO:COLLECTION_SUMMARY gas. Samples were normalized according to protein concentration when resuspended CO:COLLECTION_SUMMARY in a 1:1:1 solution of methanol:chloroform:isopropanol prior to mass CO:COLLECTION_SUMMARY spectrometry (MS) analysis. CO:SAMPLE_TYPE Epithelial cells #TREATMENT TR:TREATMENT_SUMMARY Wild-type vs UBXD8 Knockout #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were isolated from collected cultured cells. Cells were washed with PBS, SP:SAMPLEPREP_SUMMARY treated with cold 50% methanol (1mL) and transferred to glass vials. Next, SP:SAMPLEPREP_SUMMARY chloroform (0.5mL) was added and samples were gently vortexed and centrifuged at SP:SAMPLEPREP_SUMMARY 1,000x g for 5 min at 4˚C. Lipids were transferred to a clean glass vial using SP:SAMPLEPREP_SUMMARY a glass Hamilton syringe. Lipids were extracted twice using chloroform prior to SP:SAMPLEPREP_SUMMARY being dried under nitrogen gas. Samples were normalized according to protein SP:SAMPLEPREP_SUMMARY concentration when resuspended in a 1:1:1 solution of SP:SAMPLEPREP_SUMMARY methanol:chloroform:isopropanol prior to mass spectrometry (MS) analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm,2.6um) CH:SOLVENT_A 40% water; 60% methanol 10mM ammonium formate and 0.1% formic acid CH:SOLVENT_B 10% methanol; 90% isopropanol 10mM ammonium formate and 0.1% formic acid CH:FLOW_GRADIENT 25% to 100% CH:FLOW_RATE 0.25mL per min CH:COLUMN_TEMPERATURE 60 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Samples were run in a semi-random order where WT or UBXD8 KO samples were MS:MS_COMMENTS interspersed with blank samples. Lipids were ionized using a heated electrospray MS:MS_COMMENTS ionization (HESI) source and nitrogen gas and measured using a Q-Exactive Plus MS:MS_COMMENTS mass spectrometer operating at a MS1 resolution of either 70,000 or 140,000 and MS:MS_COMMENTS a MS2 resolution of 35,000. MS1 Spectra were collected over a mass range of 200 MS:MS_COMMENTS to 1,600 m/z with an automatic gain control (AGC) setting of 1e6 and transient MS:MS_COMMENTS times of 250 ms (70,000 resolution) or 520 ms (140,000 resolution). MS2 spectra MS:MS_COMMENTS were collected using a transient time of 120 ms and an AGC setting of 1e5. Each MS:MS_COMMENTS sample was analyzed using negative and positive ion modes. The mass analyzer was MS:MS_COMMENTS calibrated weekly. SPLASH LIPIDOMIX mass spectrometry standards (Avanti Polar MS:MS_COMMENTS Lipids) were used in determining extraction efficiencies and lipid quantitation. MS:MS_COMMENTS Lipids were identified and quantified using MAVEN, and EI-MAVEN (Elucidata). MS:MS_COMMENTS UHPLC retention time, MS1 peaks, and MS2 fragments were used to identify lipids. MS:MS_COMMENTS Lipids were included if they were observed in 3-6 samples in both UBXD8 KO and MS:MS_COMMENTS WT cells. Missing values in a sample were not imputed. The following lipid MS:MS_COMMENTS classes were included in the analysis: cholesteryl esters (CE), diacylglycerol MS:MS_COMMENTS (DG), phosphatidylcholine (PC), phosphatidylethanolamine (PE), MS:MS_COMMENTS phosphatidylglycerol (PG), phosphatidylinositol (PI), phosphatidylserine (PS), MS:MS_COMMENTS and triacylglycerol (TG). Guidelines from the Lipidomic Standards Initiative MS:MS_COMMENTS were followed for lipid species identification and quantification, including MS:MS_COMMENTS consideration of isotopic patterns resulting from naturally occurring 13C atoms MS:MS_COMMENTS and isomeric overlap. The following MS2 information was used to confirm each MS:MS_COMMENTS lipid species: PC fragment of 184.073 (positive mode) and tail identification MS:MS_COMMENTS using formic adduct (negative mode); PE fragment of 196.038 or the tail plus MS:MS_COMMENTS 197.046 (negative mode) and neutral loss (NL) of 141.019 (positive mode); PG MS:MS_COMMENTS fragment of 152.996 plus the identification of the FA tails (negative mode) and MS:MS_COMMENTS NL 189.04 of [M+NH4]+ adduct (positive mode); PI fragment of 241.012 (negative) MS:MS_COMMENTS and NL 277.056 of [M+NH4]+ adduct (positive mode); PS NL of 87.032 (negative); MS:MS_COMMENTS DG and TG by NL of FA tails (positive mode); and CE fragment of 369.352 or MS:MS_COMMENTS neutral loss of 368.35 (positive). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 20190829_pos_wt_1 20190829_pos_wt_2 20190829_pos_KO_1 20190829_pos_KO_2 20191130_pos_rep2_WT_a 20191130_pos_rep2_WT_b 20191130_pos_rep2_KO_a 20191130_pos_rep2_KO_b 20191130_pos_rep3_WT_a 20191130_pos_rep3_WT_b 20191130_pos_rep3_KO_a 20191130_pos_rep3_KO_b 20191230_pos_rep2_WT_a 20191230_pos_rep2_WT_b 20191230_pos_rep2_KO_a 20191230_pos_rep2_KO_b Factors Description:Wild-type Description:Wild-type Description:UBXD8 Knockout Description:UBXD8 Knockout Description:Wild-type Description:Wild-type Description:UBXD8 Knockout Description:UBXD8 Knockout Description:Wild-type Description:Wild-type Description:UBXD8 Knockout Description:UBXD8 Knockout Description:Wild-type Description:Wild-type Description:UBXD8 Knockout Description:UBXD8 Knockout LPC(16:0) 12817490 21042220 23114680 60232310 896862.19 1498761 1885417.88 1126845.62 635201.5 946461.81 1518444 1741995.38 848463.31 1591263.38 3231538 3255778 LPC(16:1) 118985.66 287302.03 250101 168730.8 28447.76 36633.21 55588.34 77139.62 87555.46 183059.42 329257.28 380004.84 LPC(18:0) 236997.58 233419.75 474942.75 450276 211665.55 130114.41 239820.55 291987.09 165012.67 275812.72 665439.75 746326.25 LPC(18:1) 44950660 55977030 58418160 124804100 1728072.5 3371162 3221535.25 2198726.25 469003.09 585282.44 915444.81 1251556.12 1319158.5 1895717.5 4655653.5 5309140.5 LPC(20:1) 1858519 2587534 4686544 11847360 193395.2 485651.41 561049.69 273244.22 66750.66 102140.55 205427 271357.34 134699.36 205531.8 658163.44 803552 LPC(20:3) 41681.45 88376.2 134406.14 76795.54 12695.06 27495.98 38240.38 56762.72 53731.31 102782.9 316336.84 419419.16 LPC(20:4) 30304.4 66045.35 133127.72 67349.68 27919.59 40837.52 39066.59 53232.91 78346.06 148150.38 427663.28 509254.5 LPC(22:4) 43081.71 105181.22 193668.8 96364.09 35950.71 38201.54 70669.64 55689.28 88365.38 175865.05 759946.31 958495.56 LPC(22:5) 15660.58 46969.09 93384.94 52715.96 13044.62 24400.23 21049.19 36762.07 37166.36 85370.57 315463.22 321223.28 PC(28:0) 3703394 6116016 3741376 4837956 420790.41 495272.38 1147984.88 1176714.88 209858.81 195842.5 275774.97 335154.28 436690.78 593434.94 781298.5 1066240.12 PC(30:0) 15957468 19201410 37547068 38861996 7441903.5 7309737.5 10325760 12871949 7475853.5 10885136 19284336 29158078 PC(30:1) 614985.81 1042649.44 1135654.5 1106839 185839.12 181425.25 167117.25 222290.31 490054.91 868298.06 797231 1057051.88 PC(32:0) 94533160 103877544 92357208 92267752 29637432 30239990 34053420 42143888 20554076 28404110 59853292 87192720 PC(32:1) 42622948 95678472 79168384 84567464 4893128.5 5411833.5 5526769.5 7080448 12464393 23257306 32149734 52461600 PC(32:2) 8181619 14114530 3984606 7829624 884433.56 1708607.5 1062638.88 1111236.62 190959.86 197951.62 130582.15 191141.88 433360.41 843288 663517 960856.06 PC(34:0) 111455900 217274000 203998400 314458800 19270782 21082214 15182684 15410865 4982834.5 5421825.5 6414330.5 7602209.5 3849515 4808012.5 9742071 15543884 PC(34:1) 2272505000 4340337000 3707897000 4600991000 291763552 509904672 448987520 476644192 29640918 37030140 45557840 64284608 54373140 89903848 163312512 271339936 PC(34:2) 183647500 320292100 232551000 280690300 15140064 29585472 27948600 29946134 1811742.38 2415647 1998325.62 2879485 4914909.5 8785652 10702102 18766126 PC(34:3) 6342536 9462690 6008263 5809255 242610.02 528576.94 590506.62 814934.19 80328.56 91109.24 68614.34 93365.73 136167.45 274215.53 325735.72 516424.75 PC(36:1) 413979100 740580000 911568400 1121753000 54296064 75629976 72701688 74769320 5520590.5 8326467.5 10553930 15034823 7211774.5 9851164 22139848 38134480 PC(36:2) 687542000 1206199000 1118709000 1393581000 82910344 132113880 116486808 126063768 5216032.5 7316472 7024682 10665470 12403756 22001976 39173184 74883264 PC(36:3) 34969410 69112620 57326860 73351780 5766890.5 12185796 13678272 14225839 859056.25 925092 978837.5 1463106.88 1490627.12 2630746 5534737.5 8110444.5 PC(36:4) 7112722.5 7826316 633054.31 714101.94 872537 1451973.12 2634963 4829935.5 8182193.5 PC(36:5) 4146965 4282801 296641.78 57270.31 121364.9 217891.52 345239.34 505865.84 PC(38:0) 182618.14 137890.23 107417.07 161358.48 36826.62 46002.25 87033.16 89870.46 PC(38:1) 22378460 35554350 56956930 68003450 2384206 3173022.25 2494914.75 2602023.25 344676.66 440554.03 649494.25 829487.44 283413.16 403055.25 830978.25 1601394.38 PC(38:2) 86763870 143459500 174701500 207110700 10957115 16583109 10853675 13383288 669028.56 1000364.69 1030026.69 1489995 1195476 1951918.5 3137757 5924134.5 PC(38:3) 20922460 36769930 39576730 49972190 3412658.75 5566003 6624128.5 7568442.5 432390.34 515774.38 549821.31 774538.75 573296 958503.31 2233401 4091294 PC(38:4) 11541960 18094100 24423150 24843140 3585283.25 5896951.5 8833779 10145177 755895.69 867330.44 737034.19 1148399.25 983066.06 1703852.88 3324864.75 7802458.5 PC(38:5) 3934206 6423176 6765715.5 525492.31 564378 484897.03 741909 986150.69 1826490 4145126 5677222.5 PC(38:6) 750693.81 1486834.88 3438381.25 3429797.75 278201.66 263334.03 271995.22 381259 542654.19 1080648.12 2050956.38 3811329.25 PC(40:0) 3191496 4812220 9289402 16660680 192648.75 212653.58 177059.58 156878.08 30851.55 41137.85 81308.01 70291.08 27340.79 49411.63 102852.73 141799.22 PC(40:1) 9888901 14885250 21973870 31385980 721732.69 777949.44 518188.22 603633.44 110017.18 122188.77 179197.25 235874.12 79200.55 109819.54 274173.12 470694.16 PC(40:2) 12859440 18843960 28624520 33241640 1066247 1316984.12 1338112.12 1505843.12 103111.32 127292.1 194508.14 265468.91 136709.44 206428.8 433633.5 943111 PC(40:3) 3502222 5355127 6989258 8082937 485149 688755.25 639598.06 666172.19 66742.66 80231.23 79483.06 97359.12 68158.65 112365.88 231636.8 402311.75 PC(40:4) 4427020 7907226 11549810 12778950 1052560.38 1615405.62 1949059.38 2156759.75 179120.55 256446.61 180921.31 280872.88 234241.92 360120.09 948366.06 1753457.88 PC(40:5) 5715300 10198840 18279920 15152220 1441675.5 2632012 3390765.25 4166131 265270.22 235477.8 321903.97 483558.84 408899.75 633147.5 1678732 3244935 PC(40:6) 1025438.31 1485461.38 3373505.25 3620649.75 251022.75 300890.28 280841.16 478870.38 383400.25 627732 1573482.12 2921708.75 PC(40:7) 2785694 3827883 4882220 7107672 255996.88 753838.06 1505530.62 1775647.88 159162.64 167390.75 129764.88 210305 365143.03 724643 1363250.5 1990816 PC(42:0) 1301773 2691189 7224656 10074520 127474.76 142339.64 115206.62 107534.59 13469.67 20974.83 50913.68 61611.45 15293.54 30811.84 64758.79 98373.72 PC(42:1) 8874568 13033710 24479110 39316430 562601.56 605918.25 544649.81 545430.69 76354.59 83623.1 209350.81 200227.3 60136.52 88249.34 250311.12 434203.41 PC(42:2) 7336692 10500410 17677230 24059230 573549.94 655129.81 551155.44 594622.5 47253.62 82487.63 121433.93 168768.31 50153.92 84763.7 246629 425159 PC(44:1) 3400856 5632971 15106080 22024400 259193.38 286983.41 274749 308397.97 24784.48 42683.95 134468.56 128728.38 36094.62 48083.04 127583.84 235860.67 PC(44:2) 3021703 4102493 8207761 10698480 236979.3 251808.3 237211.36 270079.47 13495.2 19097.86 87810.25 110314.74 46668.59 40656.77 119355.97 230198.94 PC(46:1) 2129062 2809222 7751280 12116550 167485.44 169824.23 175639.38 158270.36 18646.04 27007.86 77901.99 80979.92 13217.21 24249.16 82898.9 130914.26 PC(46:2) 1500499 2366356 6896772 9962470 128262.19 165272.08 204653.75 227411.39 16836.62 24122.46 52937.57 83874.57 11760.87 23003.02 104848.72 171938.62 PC(48:1) 519599.5 344508.6 3634748 5107424 172602.33 176010.05 124849.55 125478.97 22208.74 13853.32 71757.93 70734.58 PC(48:2) 2327411 3168625 6326167 10036210 230161.19 233764.2 227731.58 220649.7 18069.51 11012.91 106548.18 121898.19 19620.39 31910.39 107947.99 179022.83 PC(50:2) 3848764 6646691 12404910 17712640 272224.59 297925.59 276953.91 298816.22 20425.88 41349.5 133203.44 131559.47 32539.51 41266.54 144422.09 238711.27 PC(50:3) 416605.3 66506.61 1966692 2047577 50750.88 63971.78 57468.06 66403.78 3906.48 16065.79 22963.98 28112.64 PC(52:2) 154480.08 180401.45 132650.72 182007.67 8217.19 13893.63 56762.12 73810.41 PC(52:6) 866949.6 684162.3 1331396 2587796 91397.9 92594.4 90778.26 103055.41 15989.58 34202.71 42203.5 59343.35 19780.73 25504.34 87110.48 113313.38 PC(52:7) 55248.14 75409.32 82718 90302.71 12733.3 22038.42 37413.21 46821.77 13131.51 21887.25 66384.52 89262.1 PC(54:6) 69703.23 75059.34 52668.36 40828.48 18025.78 10649.22 28538.65 11707.58 10531.15 11418.16 40125.28 41079.79 CE(14:0) 2209315 2317113 1790704 2756680 187043.95 298154.28 155376.31 344326.38 CE(16:0) 2202039 2806286 1327222 2217546 559828.56 752136.19 624791.81 620319.44 488564.75 576353.62 487563.5 450612.97 2202039.25 2806285.75 1327222 2217545.75 CE(16:1) 2579368 3003311 1581363 2444514 791021.56 947134.5 725934 815537.94 632416.44 807917 733399.44 778788.25 2579368.25 3003311 1581362.62 2444514.5 CE(18:0) 997586.9 1454004 737996 1177653 997586.94 1454003.62 737996 1177653.12 CE(18:1) 23549480 28676580 10292300 18224530 5845830.5 6822920 4460913.5 5275058 3948439 4119859 4451862.5 4400211.5 23549482 28676584 10292304 18224526 CE(18:2) 3408408 3972197 2439165 3753830 2109563.25 2455610 1703677.62 1926074 2097175 2689950 1974785.62 2203793 3408408.25 3972196.75 2439165.25 3753830 CE(18:3) 254738.4 236888.3 195266 261547.1 240979.73 259386.7 164115.64 187613.56 191994.61 229191.95 201244.06 235871.42 254738.36 236888.33 195265.95 261547.12 CE(20:1) 2792861 2964162 1331660 2414658 362172.41 358837.88 423431.72 400739.16 293053.34 311124.19 394200.78 377154.34 2792861 2964162 1331659.88 2414657.75 CE(20:2) 581656.3 635965.6 219771.8 411890.2 114307.05 149741.48 136676.64 129326.71 141660.05 175754.64 145343.34 143601.33 581656.31 635965.56 219771.75 411890.22 CE(20:3) 517045.5 558416.3 422231.6 553595.8 346927.22 397507.28 285086.78 404921.72 409565.88 418447.28 371332.38 424059.47 517045.5 558416.31 422231.59 553595.88 CE(20:4) 3426596 2930539 2678816 3052721 2679678.25 3234683.25 2222121.75 2552819.25 2616043.5 2783620 2310961.75 2588163 3426595.75 2930539.25 2678815.75 3052721 CE(20:5) 184074 170724.1 143433.2 221296.8 190790.86 210171.12 169701.83 179407.17 195957.75 188800.52 153258.77 141768.17 184074.02 170724.06 143433.23 221296.77 CE(22:0) 256380.6 330938.1 246406.1 321873.6 126961.4 181159.25 113979.81 209631.5 CE(22:1) 865283.4 1124461 641024.8 1036378 142077.05 161543.45 174776.38 230193.62 137756.02 140787.2 180569.83 182520.05 865283.44 1124461.12 641024.81 1036377.56 CE(22:3) 18167.87 27718.24 42444.78 15738.31 64105.81 53476.33 37157.45 32148.34 85166.12 78688.54 59185.33 103282.41 CE(22:4) 45608.28 77733.56 84096.56 96516.84 146819.94 183012.88 45604.39 72214.71 180495.77 201460.86 104195.96 146317.42 CE(22:6) 1134668 933156.2 854628.1 1363250 564335.12 670729.94 610349.81 673504.5 773084 858436.31 636782.75 648105.94 1134668.12 933156.25 854628.19 1363249.5 CE(24:0) 424684.5 490161.1 449031.3 720570 424684.5 490161.09 449031.28 720570 CE(24:1) 1937608 2259092 1474424 2442284 263483.5 251240.83 394592.72 411715.53 201367.98 187884.55 402429.88 372590.03 1937608 2259092.25 1474424 2442283.75 CE(26:0) 397712.8 441881.6 495555.2 777277.4 41907.9 49833.49 107913.48 128185.26 26472.71 17376.99 83288.6 88320 397712.78 441881.59 495555.22 777277.44 CE(26:1) 1047810 1153751 928869.2 1626741 141363.27 128216.4 276696.62 334298.84 118666.46 104964.19 264154.09 262294.62 1047810 1153750.62 928869.06 1626740.62 CE(28:0) 130278.5 166622 176976.5 281764.4 130278.49 166622.02 176976.55 281764.38 CE(28:1) 574371.6 694135.1 594710.3 962553.8 70330.8 79802.16 168942.2 194985.52 30734.31 51078.37 143686.83 151701.25 574371.56 694135 594710.31 962553.75 CE(30:0) 92205.04 105557.4 89362.91 154244.6 92205.04 105557.43 89362.91 154244.62 CE(30:1) 965653.7 1162356 888319.5 1669988 112811.04 128835.01 276564.28 285007.41 56663.91 77122.13 261846.48 221877.31 965653.69 1162356.5 888319.5 1669988.12 CE(30:2) 51598.47 70894.98 67850.77 100088 3676.86 0 25314.66 24874.77 0 2612.75 23406.65 11010.63 51598.47 70894.98 67850.77 100087.99 CE(32:1) 1835130 2257339 1546558 2452921 272534.66 267722.09 375239.72 497488.34 103734.41 96117.87 303713.44 323826.34 1835129.38 2257339.25 1546557.62 2452920.75 CE(32:2) 184865 182028.7 148407.1 252120.8 31694.71 19376.12 58996.96 53269.23 19181.42 4506.85 58118.91 36793.94 184864.95 182028.67 148407.08 252120.83 CE(34:1) 927617.2 1136863 512762.4 773142.8 150871.75 125122.13 133309.38 159918.3 49117.53 56057.76 104238.51 101012.03 927617.19 1136863.38 512762.41 773142.81 CE(34:2) 191409.5 206942.9 100543.8 162882.1 191409.5 206942.88 100543.84 162882.14 CE(34:4) 72376.93 96616.2 44496.57 71508.06 72376.93 96616.2 44496.57 71508.06 CE(34:5) 182817 215267.3 146802.8 229061.5 182817.02 215267.33 146802.78 229061.5 CE(34:6) 183110.2 191207.9 140443.2 210879.2 183110.2 191207.92 140443.22 210879.2 CE(36:1) 142165.6 154780.1 58925.64 88669.53 142165.62 154780.08 58925.64 88669.53 CE(36:2) 82741.62 92594.62 30011.04 31545.56 82741.62 92594.62 30011.04 31545.56 CE(36:6) 253424.9 296679.6 83691.16 129143.8 253424.92 296679.62 83691.16 129143.75 DG(30:0) 1418516 3057811 1779154 2694845 1088652 1277540 1898137 1945360 1257884 1628480 1889782 3220298 DG(32:0) 7831592 14047660 9550883 14983010 7421246 7243442 4622723 4664206 6295696 7665014 7823938 11324900 DG(32:1) 2137656 3806468 3160694 3789764 2252192 2958905 2128481 2333662 797153.6 992374.2 1445184 2239713 DG(34:0) 6342098 11234130 9734945 12885410 3932152 3775841 3291975 2180906 16352470 7074726 12515980 8690856 DG(34:1) 17025650 24445430 19843780 23686690 9945273 1.29E+07 8427914 8076082 3741535 4973126 7206600 12218570 DG(34:2) 1953020 2639302 2473462 2801402 1149152 1564660 843320.5 976573.6 2199258 1828412 2053608 2214050 DG(36:0) 3309634 1523196 4906032 1252124 53284860 19797060 33329530 20020470 DG(36:1) 18156960 19941100 17346830 20935110 4166531 4268472 2120701 2290674 1267998 1674552 2918663 4257888 DG(36:2) 6461258 10319400 7995918 10610000 3675629 4369036 2347183 2740983 1434818 2000182 2894359 5097493 DG(36:3) 538126.2 651805.4 630972.2 860351.3 210153.8 264698 556760.1 796905.5 DG(36:4) 920535.8 1339512 1053495 1071160 487681.6 687248.5 991714.8 1543628 DG(38:1) 1143682 1256974 1387518 1862715 270344.6 273623.7 189988.3 171565.1 DG(38:2) 3966589 4034673 2609657 3288168 621499.2 647113.7 364909.2 415864.6 250358.9 350432.9 745997.7 993797.9 DG(38:3) 5670974 6703608 5038002 5809314 1046769 1097484 659290.8 759802.8 545492.9 755992.6 1365275 3034698 DG(38:4) 15964820 19980640 16953670 17479240 4284486 4016263 2777557 3439679 3459677 5089142 7951560 16313520 DG(38:5) 939106.2 1487211 1379985 1386695 511488.8 715704.6 403379.2 490130.8 636428.6 991441.9 1676875 2864306 DG(40:0) 285080.9 454097.1 856672.2 1364535 4779166 1714198 3536923 2255331 DG(40:1) 313382.9 409164 561610.6 937207.2 164663.3 167053.3 115569.1 116167.8 90689.09 112381.2 227605.3 256642.3 DG(40:2) 408870.1 460821.4 405295.8 501728.2 123346.8 148213.2 63534.26 68708.09 DG(40:3) 331190 396754.2 212303.7 260616.6 DG(40:4) 1338309 1723660 1786904 1703097 290283.5 329398.3 163942.6 202711.6 189084.8 254603.7 552790.2 902716.7 DG(42:0) 798503.5 88224.09 81688.47 78893.79 73868.38 15199280 5596682 9000679 5830382 DG(42:1) 222139.9 354297.1 526464.2 14963400 98199.15 110202.8 76018.4 72417.87 44864.67 56389.86 123938.3 174712.3 DG(42:2) 142241.9 208652.9 270618 1008072 82379.12 99325.24 50417.52 59480.77 36865.05 46058.48 115207.8 140153.6 DG(46:0) 6474254 9047331 5405535 1928386 79171.83 95005.59 531532.2 616151.6 804083.9 1045352 3971951 5441004 DG(46:1) 917760.2 1392254 1068285 23853050 10501.65 19184.4 201429 198320.1 135725.8 250082.2 1010588 1293834 DG(48:0) 31561300 41670470 23337340 22758700 750874.1 779715.5 2299131 2175060 2044250 2541688 8345354 11942060 DG(48:1) 16334560 22697910 13657590 85953110 314396.7 375287.8 1700768 1651323 1512274 1700730 7413790 10237430 LPE(16:0) 24926.52 46290.92 42443.69 27499.42 45027.59 85192.45 70934.23 92371.48 34318.97 57519.56 72057.77 79857.09 LPE(16:1) 18378.91 47949.88 43192.29 17353.96 8060.01 20526.85 22470.67 23390.31 7403.04 13514.66 11892.2 14200.09 LPE(18:0) 75354.29 72849.54 66184.8 72774.77 28597.5 23710.4 39820.27 42489.03 19239.08 22621.05 44790.8 57509.33 LPE(18:1) 310283.1 948242.8 678893.2 4288666 388635.25 717510.06 797032.75 387940.53 222645.23 355423.72 589128.94 739652.19 189837.42 324993.12 410099.16 458906.72 LPE(20:1) 227567.42 559949.5 634253.75 253754.17 252362.92 459587.12 740852 892695.81 204147.17 362238.53 577413.19 647153.88 LPE(20:2) 23045.16 56811.27 49801.2 26866.41 11191.73 33159.12 45464.83 45999.32 16662.4 23617.92 38100.74 50781.83 LPE(20:3) 34359.53 75391.61 94158.25 32485.51 12253.81 42572.05 65444.42 77970.68 20341.38 37587.44 53846.29 71590.51 LPE(20:4) 96701.99 257956.83 335289.22 151494.06 92497.94 129610.76 178110.33 237259.62 76000.84 138974.5 216449.39 234882.92 LPE(22:1) 11299.51 71462.68 55916.46 9197.6 34782.43 97898.95 108932.57 101760.68 34479.69 60687.03 96140.73 113651.38 LPE(22:2) 6996.69 53526.9 57410.04 21114.49 19725.41 48236.23 52497.52 58409.27 24477.29 52364.83 69366.16 68335.43 LPE(22:3) 30356.43 72095.41 86575.4 34449.92 52615.14 107768.09 66241.09 103486.99 45419.98 89925.05 120878.13 124076.79 LPE(22:4) 153939.2 426074.72 589026.94 267726.28 260289.2 418464.78 473152.72 587669.69 229455.92 377725.38 723230 797853.25 LPE(22:5) 64439.11 200663.33 265730.16 144996.56 93890.59 126582.16 194347.89 246986.11 68540.33 116103.12 243194.73 280014.12 LPE(22:6) 42361.5 105361.79 214486.06 94924.32 42310.96 83777.46 119605.53 129421.75 44678.56 84664.73 128421.62 152175.03 LPE(24:0) 65557.41 83653.06 85252.51 83688.59 0 4126.21 34280.58 35339.45 1853.12 3145.28 10203.06 14454.64 LPE(24:4) 9432.08 28116.76 47495.09 11640.18 15827.36 57917.39 40884.54 64674.26 25773.58 40590.83 83221.47 83514.83 LPE(24:5) 11847.53 37553.67 69193.6 19330.55 30827.95 50696.79 55670.44 71505.52 31748.56 43409.88 73351.12 90473.47 PE(30:0) 176704 270076.09 221248.12 253791.8 110061.91 95153.59 106712.45 117133.66 21280.95 30542.65 31769.79 50482.68 PE(32:0) 1578884.38 1521185.62 430115 472935.41 635055.75 664844.75 272474.41 343232.28 123339.56 174389.17 143030.88 223910.23 PE(32:1) 460424.7 1117594 726676.8 1228830 2142060.75 4132082 1983675.62 2292779.5 415145.78 464286.16 338635.69 392972.25 PE(34:1) 4338150 10892630 8630987 17012840 23787874 29705504 22098530 23064326 6028216 6822080.5 7271701.5 8192973.5 1725664.88 2004787.5 2055679.62 3113442.75 PE(34:2) 4939240.5 10359855 4757973 5228858 270633.38 330250 236849.19 270526.38 124472.3 159029.44 153533.38 217246.42 PE(36:1) 5670990 14183030 11212300 23046490 21734866 25097274 22569226 22305104 6113729.5 7719773.5 10183217 10966798 1841706.62 2499372.75 3462703 5239492.5 PE(36:2) 3525212 9014484 6772436 13100500 18907330 23723302 17633016 16471008 2429600.5 2715651.75 2464443.75 2993269.75 1034531.5 1450719 1473466.62 2267952 PE(36:3) 175291.5 475377.1 147806 864132.6 870933.56 1402643.38 1586042 1768049.5 191879.2 253681.12 318879.19 374604.62 50994.92 106566.62 135039.14 205992 PE(36:4) 158726.9 423256.3 595255.7 997402.6 2480885.25 4892170.5 4603067.5 5118705.5 453380.84 505346.16 428455.34 584712.06 146250.66 204065.17 250792.67 417428.88 PE(38:1) 168954.6 474117.4 406571.3 953682.8 69187.99 85647.04 132512.3 212887.23 PE(38:2) 364312.8 1298560 1025113 2310269 2102370.75 2759081.75 1902677.88 2050766.62 458119.28 584978.69 565183.62 759358.56 151997.61 200847.92 257056.56 468160.72 PE(38:3) 370862.7 1006533 820837.2 1706949 1409208.88 1886707.12 2378286.5 2331591.25 490112.38 662731.44 862092.25 1129568.38 154599.77 216773.12 371632.78 570858 PE(38:4) 1863306 5186690 5366811 10004020 11066287 18980590 15413968 18619280 3403847.75 4322012 4183233.25 5696232.5 1196876.38 1710222.5 2721808.75 3684569.25 PE(38:5) 151567.2 516991.4 584908.1 926195.1 1892794.5 1996039.5 3381701 3110879.75 451628.03 575466.5 335073.66 433420 75190.49 135165.25 0 0 PE(38:6) 20431.42 40292.41 128289.9 292746.2 1003696.19 2036390.62 3154256 3180655.25 122651.38 91771.23 232184.77 236803.69 59534.89 68377.63 105380.05 112083.04 PE(40:1) 170952 432875 401963.9 1044171 793416.19 833348.31 551428.06 617072.62 267399.66 264366.09 333998 339802.97 86903.21 114699.88 156567.31 243836.25 PE(40:2) 128383.7 402581.7 361164.4 734447 96404.27 124536.16 186167.12 333755.75 PE(40:4) 320943.5 1048532 1281551 2498504 1889989 1723377.12 2969974.25 3000057 611095.56 731216.5 715300.31 912722.31 173771.67 218405.58 543032.44 865131.31 PE(40:5) 101988.6 509331.9 371382.2 1466197 1889781.38 2290982.75 2842258 3145709.75 555789.69 593869.62 685057.56 809834.94 0 0 0 228371.64 PE(40:6) 283783.4 975692.6 1250598 3021980 2674045.75 4052634.75 7296166.5 7763560 1019912.44 1289302 1872367.88 2176606.5 360208.97 479151 731320.44 1125963.62 PE(42:1) 200246.5 515157.8 593952 1475539 526352.19 636774.75 599677.69 619988.31 264723.34 278267.75 476017.38 454201.34 106668.31 143606.61 230234.38 417120.75 PE(42:2) 17697.02 138917.3 137671.7 425822.8 308867.09 312999.75 331509.53 365242.91 121792.88 166947.31 196634.83 216978.44 51859.25 65609.46 115296.04 187672.7 PE(42:4) 20698.71 60925.09 91360.73 167837.1 19410.02 28599.04 67375.73 93135.71 PE(44:4) 27209.72 122654.7 171284.7 456232.3 213601.73 233133 272407.16 256050.75 69948.77 84751.2 119864.19 166022.92 26459.06 33298 65591.12 98051.79 PE(44:5) 6308.62 44945.12 83845.55 217692.4 20648.1 23126.55 54752.58 103285.06 PE(46:6) 25436.87 25722.77 68866.19 65223.14 5896.62 16627.88 34557.71 50284.06 7447.74 10543.95 19814.96 34950.51 PE(O-34:1) 256305.05 228189.81 207451.64 356920.38 103536.32 63100.58 154707.97 180443.48 22074.35 18690.51 55233.02 106751.23 PE(O-36:2) 2966228 7279524 5340638 7744576 6188965.5 6550876.5 6716031.5 8041226 1013982 659094.56 1843806.5 2670749.25 241815.19 144466.28 541162.62 1276599.5 PE(O-36:3) 1678388 4616792 2723538 4055927 2776488.25 3334094 2939866.25 3968852.75 279751.97 161650.73 404503.28 514683.22 72949.53 51586.62 142783.39 319071.62 PE(O-36:5) 1470089 3834476 3477713 5339329 5425427.5 7004531.5 8706903 10366609 696052.25 371222.03 922624.75 1267687.88 213321.27 136334.95 485927.72 1102778.25 PE(O-38:2) 659980.9 1564358 1155434 1947351 1325317.88 1426827.12 1313912 1658664 285319.16 171251.61 552596.31 593610.56 67390.8 43037.85 184168 419031.66 PE(O-38:4) 248893.9 838851.7 946610.9 1978068 1067594.62 1148926 1379947.88 1475039.88 236419.52 62808.92 333380.66 424500.16 PE(O-38:5) 2266317 5070466 4949562 8308914 4279251.5 4716340.5 6759146.5 7568824 1300508.88 1873993.38 1049019.12 1475283.12 215209.38 151107.14 666409.31 1336931.88 PE(O-38:6) 1096029 2955624 2777422 4366280 3776066.75 5130186.5 7586287.5 8719727 479606.72 248170.61 273591.97 0 153601.86 121636.3 407219.22 934191 PE(O-40:5) 100528.4 441796.3 586472.1 1020918 1134729.88 1478613.62 1772175.5 2321669.5 503842.84 360314.66 501175.16 628426.31 69482.84 39045.89 237605.55 571429.81 PE(O-40:6) 377906.9 1067234 1264801 2078154 1336239.62 1415716.5 2349968 2762789.75 309455.47 176619.94 411593.41 354470.16 75393.38 48291.33 250863.94 493706.34 PG(32:0) 115276.21 121826.34 18568 20097.53 27973.92 35570.89 3600.69 8525.45 27361.01 30263.2 11695.37 16616.35 PG(36:1) 120152.62 198740.98 50481.67 89509.71 26870.76 35630.52 12124.97 9737.68 24196.69 36552.8 32835.61 53267.12 PG(36:2) 22254.87 27146.3 39160.85 33122.91 1606.58 861.11 1905.71 2978.52 4833.32 13467.07 40832.46 59883.07 PI(34:1) 69042.28 229158.2 221406 288907 727412.19 885194.25 777049 871443.5 113289.25 162882.56 217971.86 314116.22 156468.36 193827.56 331661.72 450598.78 PI(36:1) 259272.5 658703 649730.2 859839.2 1402037.88 1771447.62 1097236.25 1174948.88 202573.39 292917.41 507741.38 586199.69 209891.75 273872.03 535969.81 762482.81 PI(36:2) 293880.72 468502.28 379505.59 391438.59 22044.68 33871.02 41753.79 65569.35 66505.94 85922.25 136772.83 196866.7 PI(38:2) 34378.98 106991.5 90880.02 122212.4 203855.11 272711.5 169389.73 192147.08 26181.72 38177.65 68803.41 90545.59 41038.59 48954.76 97725.98 125446.22 PI(38:3) 53086.17 139030.8 114524.9 144698.6 326628.41 444270.12 455332.03 445447.75 65279.55 97175.19 141819.48 186332.83 79028.02 100212.72 251291.02 387721.03 PI(38:4) 76232.93 262320.6 314734.3 435931.1 952405.94 1264918.62 1858212.5 1825563.62 187962.17 313933.78 423147.5 646972.44 419561.25 515439.97 1188508.62 1893614.5 PI(40:4) 58987.1 79202.27 60824.89 89919.71 8186.62 13263.46 19324.46 27897.59 16108.67 14432.41 57988.47 80606.8 TG(42:0) 189452.5 274467.7 241423.2 391477.8 33431.44 45866 87467.15 96743.88 385823.7 567914.8 385823.7 567914.8 TG(44:0) 2197387 2924237 2169265 3413967 71752.45 76768.32 453851.2 452203.4 2438904 3452781 2438904 3452781 TG(44:1) 486529.5 711995.7 534301.1 912980 18006.36 24088.15 181948.5 186757.8 825730.3 1293410 825730.3 1293410 TG(46:0) 13552300 20176180 13492910 22476470 331779.3 356422.5 1699838 1746059 8436649 1.40E+07 8436649 1.40E+07 TG(46:1) 6909056 7991524 6579758 10057980 129884.8 169677.1 1334518 1392566 6994294 9628153 6994294 9628153 TG(46:2) 552162.1 631165.8 531252.7 800443.3 21985.32 28464.95 169844.8 158982.3 869807.3 1163499 869807.3 1163499 TG(48:0) 37063160 54062720 34149150 55670500 1049968 1122243 2924896 3264174 1.38E+07 2.04E+07 1.38E+07 2.04E+07 TG(48:1) 61984350 68290540 46604200 71951590 1051310 1088076 5423840 5826848 3.68E+07 5.18E+07 3.68E+07 5.18E+07 TG(48:2) 8661015 9819688 7086712 11861100 214060.8 254020.4 1180541 1188204 6590176 9835387 6590176 9835387 TG(48:3) 274870.6 303571.9 219059.6 353692.8 446325.2 544041.8 446325.2 544041.8 TG(50:0) 19659320 31162290 28310260 43022240 931520 921617.1 1884168 1779501 7360794 1.22E+07 7360794 1.22E+07 TG(50:1) 162276100 228477300 148151700 255711000 3132370 3764891 1.17E+07 1.34E+07 7.63E+07 1.08E+08 7.63E+07 1.08E+08 TG(50:2) 57012270 68432780 47087380 86363780 1305628 1472526 5609398 5875432 3.84E+07 5.70E+07 3.84E+07 5.70E+07 TG(50:3) 3157509 3254909 2439338 3929149 101282.2 113583.6 476364.5 513927.5 3278466 4647035 3278466 4647035 TG(52:0) 5118900 8275490 8384706 14865500 359722.2 395376.3 559983.8 545526.4 2138743 2785243 2138743 2785243 TG(52:1) 58712000 89317930 66841960 112984900 1523231 1738659 4328614 4813246 2.63E+07 3.43E+07 2.63E+07 3.43E+07 TG(52:2) 195547300 232947800 143327400 243829400 3455421 3817551 1.24E+07 1.25E+07 1.30E+08 1.92E+08 1.30E+08 1.92E+08 TG(52:3) 20038280 24590370 14254470 26657410 533372.2 623130.9 1992131 2102480 1.66E+07 2.15E+07 1.66E+07 2.15E+07 TG(52:4) 797669.9 996954.5 546745.2 989254.1 44574.41 49393.15 143333.8 150420.3 1208727 1737190 1208727 1737190 TG(54:0) 1064805 1394472 2159478 3196079 122067.2 107306.2 187529 159162 1140821 1352753 1140821 1352753 TG(54:1) 9523435 14502600 14822880 22190430 340778.9 358677.8 872739.8 966931.7 4531376 5580074 4531376 5580074 TG(54:2) 47921940 64291410 46477470 76884430 1000870 1065922 3299476 3336672 2.40E+07 3.24E+07 2.40E+07 3.24E+07 TG(54:3) 44653960 51831440 33293300 55660710 954153.3 1045253 3587927 3562865 2.69E+07 3.62E+07 2.69E+07 3.62E+07 TG(54:4) 2885813 3377436 1948277 2935469 116999.6 120184.2 388756.3 412892 3660171 5183362 3660171 5183362 TG(56:0) 809656.7 1127066 1851981 2803015 42296.1 46400.52 85160.17 97933.22 322302.2 402111.9 322302.2 402111.9 TG(56:1) 2476327 2918543 4264349 7096998 68632.15 99240.16 276521.4 276014.8 1256538 1911181 1256538 1911181 TG(56:2) 6120550 7663088 7877282 9816936 164782.3 194186.2 572854.8 564228.8 3762088 4880234 3762088 4880234 TG(56:3) 8827983 9427280 6916746 13624480 171909.7 202288.6 716427.7 729921.5 5321024 8147074 5321024 8147074 TG(56:4) 997971.2 1251685 803669.4 1431227 1299350 1927632 1299350 1927632 TG(56:6) 330811.5 341797.7 283972.2 577762.2 878349.8 1097402 878349.8 1097402 TG(58:0) 515406 794142.2 1431314 2402398 205920.6 262131.4 205920.6 262131.4 TG(58:1) 2283457 3119456 4313328 6963580 66354.19 79798.93 226297.1 228975.3 1013442 1233077 1013442 1233077 TG(58:2) 2651835 3262271 3798385 5899238 90211.1 80639.91 283733 334690.3 2007910 2618079 2007910 2618079 TG(58:3) 1744126 1963745 1675429 3199115 57017.96 59200.29 174337.6 167307.7 1296788 1869670 1296788 1869670 TG(60:0) 201952.6 275434.5 574046.3 992353.7 TG(60:1) 1145191 1532959 2723675 4169530 589643.1 813608.6 589643.1 813608.6 TG(60:2) 1711389 2214659 2755027 4385410 53879.27 63174.93 204093.5 202582.4 1140114 1790111 1140114 1790111 TG(60:3) 984295.8 1157990 1344613 2035946 866180.4 1097232 866180.4 1097232 TG(62:0) 79547.45 104085.7 235674 353942 TG(62:1) 553442.1 787249.8 1331861 2051032 268364.1 410241.5 268364.1 410241.5 TG(62:2) 797502.8 946470.4 1476630 2431533 29719.61 26007.08 117163.7 125873.4 587166.8 757394.2 587166.8 757394.2 TG(62:3) 351822.8 423666.5 657904.2 953993.2 442581.6 712652.2 442581.6 712652.2 TG(64:0) 27310.67 40171.26 86670.12 128884.4 TG(64:1) 511293 667755.6 1116734 1550645 188698.1 276770.9 188698.1 276770.9 TG(64:2) 710657.2 906090.8 1448174 2225374 29476.03 30758.17 118619.4 129216 373598.8 597089.4 373598.8 597089.4 TG(64:3) 253517.5 270353.2 419112 649554 230386.4 345469.7 230386.4 345469.7 TG(66:1) 386022.4 507372.5 587668.8 832371.2 76261.84 138169.4 76261.84 138169.4 TG(66:2) 1029297 1360194 1602800 2740606 420223.8 654998.1 420223.8 654998.1 TG(66:3) 353028.2 435049.4 598702.4 951891.2 260473.2 347967 260473.2 347967 TG(68:2) 689973.7 908093.9 803606.3 1332376 188280.8 274864.8 188280.8 274864.8 TG(68:3) 506131.9 580327.2 647161.7 1045792 223112.1 350339.1 223112.1 350339.1 TG(70:2) 181971.2 209673.6 209726.3 323750.2 90117.46 138079.5 90117.46 138079.5 TG(70:3) 291382.2 379428.8 312245.7 459675 89180.94 137283.6 89180.94 137283.6 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 20190829_pos_wt_1 20190829_pos_wt_2 20190829_pos_KO_1 20190829_pos_KO_2 20191130_pos_rep2_WT_a 20191130_pos_rep2_WT_b 20191130_pos_rep2_KO_a 20191130_pos_rep2_KO_b 20191130_pos_rep3_WT_a 20191130_pos_rep3_WT_b 20191130_pos_rep3_KO_a 20191130_pos_rep3_KO_b 20191230_pos_rep2_WT_a 20191230_pos_rep2_WT_b 20191230_pos_rep2_KO_a 20191230_pos_rep2_KO_b LPC(16:0) 12817490 21042220 23114680 60232310 896862.19 1498761 1885417.88 1126845.62 635201.5 946461.81 1518444 1741995.38 848463.31 1591263.38 3231538 3255778 LPC(16:1) 118985.66 287302.03 250101 168730.8 28447.76 36633.21 55588.34 77139.62 87555.46 183059.42 329257.28 380004.84 LPC(18:0) 236997.58 233419.75 474942.75 450276 211665.55 130114.41 239820.55 291987.09 165012.67 275812.72 665439.75 746326.25 LPC(18:1) 44950660 55977030 58418160 124804100 1728072.5 3371162 3221535.25 2198726.25 469003.09 585282.44 915444.81 1251556.12 1319158.5 1895717.5 4655653.5 5309140.5 LPC(20:1) 1858519 2587534 4686544 11847360 193395.2 485651.41 561049.69 273244.22 66750.66 102140.55 205427 271357.34 134699.36 205531.8 658163.44 803552 LPC(20:3) 41681.45 88376.2 134406.14 76795.54 12695.06 27495.98 38240.38 56762.72 53731.31 102782.9 316336.84 419419.16 LPC(20:4) 30304.4 66045.35 133127.72 67349.68 27919.59 40837.52 39066.59 53232.91 78346.06 148150.38 427663.28 509254.5 LPC(22:4) 43081.71 105181.22 193668.8 96364.09 35950.71 38201.54 70669.64 55689.28 88365.38 175865.05 759946.31 958495.56 LPC(22:5) 15660.58 46969.09 93384.94 52715.96 13044.62 24400.23 21049.19 36762.07 37166.36 85370.57 315463.22 321223.28 PC(28:0) 3703394 6116016 3741376 4837956 420790.41 495272.38 1147984.88 1176714.88 209858.81 195842.5 275774.97 335154.28 436690.78 593434.94 781298.5 1066240.12 PC(30:0) 15957468 19201410 37547068 38861996 7441903.5 7309737.5 10325760 12871949 7475853.5 10885136 19284336 29158078 PC(30:1) 614985.81 1042649.44 1135654.5 1106839 185839.12 181425.25 167117.25 222290.31 490054.91 868298.06 797231 1057051.88 PC(32:0) 94533160 103877544 92357208 92267752 29637432 30239990 34053420 42143888 20554076 28404110 59853292 87192720 PC(32:1) 42622948 95678472 79168384 84567464 4893128.5 5411833.5 5526769.5 7080448 12464393 23257306 32149734 52461600 PC(32:2) 8181619 14114530 3984606 7829624 884433.56 1708607.5 1062638.88 1111236.62 190959.86 197951.62 130582.15 191141.88 433360.41 843288 663517 960856.06 PC(34:0) 111455900 217274000 203998400 314458800 19270782 21082214 15182684 15410865 4982834.5 5421825.5 6414330.5 7602209.5 3849515 4808012.5 9742071 15543884 PC(34:1) 2272505000 4340337000 3707897000 4600991000 291763552 509904672 448987520 476644192 29640918 37030140 45557840 64284608 54373140 89903848 163312512 271339936 PC(34:2) 183647500 320292100 232551000 280690300 15140064 29585472 27948600 29946134 1811742.38 2415647 1998325.62 2879485 4914909.5 8785652 10702102 18766126 PC(34:3) 6342536 9462690 6008263 5809255 242610.02 528576.94 590506.62 814934.19 80328.56 91109.24 68614.34 93365.73 136167.45 274215.53 325735.72 516424.75 PC(36:1) 413979100 740580000 911568400 1121753000 54296064 75629976 72701688 74769320 5520590.5 8326467.5 10553930 15034823 7211774.5 9851164 22139848 38134480 PC(36:2) 687542000 1206199000 1118709000 1393581000 82910344 132113880 116486808 126063768 5216032.5 7316472 7024682 10665470 12403756 22001976 39173184 74883264 PC(36:3) 34969410 69112620 57326860 73351780 5766890.5 12185796 13678272 14225839 859056.25 925092 978837.5 1463106.88 1490627.12 2630746 5534737.5 8110444.5 PC(36:4) 7112722.5 7826316 633054.31 714101.94 872537 1451973.12 2634963 4829935.5 8182193.5 PC(36:5) 4146965 4282801 296641.78 57270.31 121364.9 217891.52 345239.34 505865.84 PC(38:0) 182618.14 137890.23 107417.07 161358.48 36826.62 46002.25 87033.16 89870.46 PC(38:1) 22378460 35554350 56956930 68003450 2384206 3173022.25 2494914.75 2602023.25 344676.66 440554.03 649494.25 829487.44 283413.16 403055.25 830978.25 1601394.38 PC(38:2) 86763870 143459500 174701500 207110700 10957115 16583109 10853675 13383288 669028.56 1000364.69 1030026.69 1489995 1195476 1951918.5 3137757 5924134.5 PC(38:3) 20922460 36769930 39576730 49972190 3412658.75 5566003 6624128.5 7568442.5 432390.34 515774.38 549821.31 774538.75 573296 958503.31 2233401 4091294 PC(38:4) 11541960 18094100 24423150 24843140 3585283.25 5896951.5 8833779 10145177 755895.69 867330.44 737034.19 1148399.25 983066.06 1703852.88 3324864.75 7802458.5 PC(38:5) 3934206 6423176 6765715.5 525492.31 564378 484897.03 741909 986150.69 1826490 4145126 5677222.5 PC(38:6) 750693.81 1486834.88 3438381.25 3429797.75 278201.66 263334.03 271995.22 381259 542654.19 1080648.12 2050956.38 3811329.25 PC(40:0) 3191496 4812220 9289402 16660680 192648.75 212653.58 177059.58 156878.08 30851.55 41137.85 81308.01 70291.08 27340.79 49411.63 102852.73 141799.22 PC(40:1) 9888901 14885250 21973870 31385980 721732.69 777949.44 518188.22 603633.44 110017.18 122188.77 179197.25 235874.12 79200.55 109819.54 274173.12 470694.16 PC(40:2) 12859440 18843960 28624520 33241640 1066247 1316984.12 1338112.12 1505843.12 103111.32 127292.1 194508.14 265468.91 136709.44 206428.8 433633.5 943111 PC(40:3) 3502222 5355127 6989258 8082937 485149 688755.25 639598.06 666172.19 66742.66 80231.23 79483.06 97359.12 68158.65 112365.88 231636.8 402311.75 PC(40:4) 4427020 7907226 11549810 12778950 1052560.38 1615405.62 1949059.38 2156759.75 179120.55 256446.61 180921.31 280872.88 234241.92 360120.09 948366.06 1753457.88 PC(40:5) 5715300 10198840 18279920 15152220 1441675.5 2632012 3390765.25 4166131 265270.22 235477.8 321903.97 483558.84 408899.75 633147.5 1678732 3244935 PC(40:6) 1025438.31 1485461.38 3373505.25 3620649.75 251022.75 300890.28 280841.16 478870.38 383400.25 627732 1573482.12 2921708.75 PC(40:7) 2785694 3827883 4882220 7107672 255996.88 753838.06 1505530.62 1775647.88 159162.64 167390.75 129764.88 210305 365143.03 724643 1363250.5 1990816 PC(42:0) 1301773 2691189 7224656 10074520 127474.76 142339.64 115206.62 107534.59 13469.67 20974.83 50913.68 61611.45 15293.54 30811.84 64758.79 98373.72 PC(42:1) 8874568 13033710 24479110 39316430 562601.56 605918.25 544649.81 545430.69 76354.59 83623.1 209350.81 200227.3 60136.52 88249.34 250311.12 434203.41 PC(42:2) 7336692 10500410 17677230 24059230 573549.94 655129.81 551155.44 594622.5 47253.62 82487.63 121433.93 168768.31 50153.92 84763.7 246629 425159 PC(44:1) 3400856 5632971 15106080 22024400 259193.38 286983.41 274749 308397.97 24784.48 42683.95 134468.56 128728.38 36094.62 48083.04 127583.84 235860.67 PC(44:2) 3021703 4102493 8207761 10698480 236979.3 251808.3 237211.36 270079.47 13495.2 19097.86 87810.25 110314.74 46668.59 40656.77 119355.97 230198.94 PC(46:1) 2129062 2809222 7751280 12116550 167485.44 169824.23 175639.38 158270.36 18646.04 27007.86 77901.99 80979.92 13217.21 24249.16 82898.9 130914.26 PC(46:2) 1500499 2366356 6896772 9962470 128262.19 165272.08 204653.75 227411.39 16836.62 24122.46 52937.57 83874.57 11760.87 23003.02 104848.72 171938.62 PC(48:1) 519599.5 344508.6 3634748 5107424 172602.33 176010.05 124849.55 125478.97 22208.74 13853.32 71757.93 70734.58 PC(48:2) 2327411 3168625 6326167 10036210 230161.19 233764.2 227731.58 220649.7 18069.51 11012.91 106548.18 121898.19 19620.39 31910.39 107947.99 179022.83 PC(50:2) 3848764 6646691 12404910 17712640 272224.59 297925.59 276953.91 298816.22 20425.88 41349.5 133203.44 131559.47 32539.51 41266.54 144422.09 238711.27 PC(50:3) 416605.3 66506.61 1966692 2047577 50750.88 63971.78 57468.06 66403.78 3906.48 16065.79 22963.98 28112.64 PC(52:2) 154480.08 180401.45 132650.72 182007.67 8217.19 13893.63 56762.12 73810.41 PC(52:6) 866949.6 684162.3 1331396 2587796 91397.9 92594.4 90778.26 103055.41 15989.58 34202.71 42203.5 59343.35 19780.73 25504.34 87110.48 113313.38 PC(52:7) 55248.14 75409.32 82718 90302.71 12733.3 22038.42 37413.21 46821.77 13131.51 21887.25 66384.52 89262.1 PC(54:6) 69703.23 75059.34 52668.36 40828.48 18025.78 10649.22 28538.65 11707.58 10531.15 11418.16 40125.28 41079.79 CE(14:0) 2209315 2317113 1790704 2756680 187043.95 298154.28 155376.31 344326.38 CE(16:0) 2202039 2806286 1327222 2217546 559828.56 752136.19 624791.81 620319.44 488564.75 576353.62 487563.5 450612.97 2202039.25 2806285.75 1327222 2217545.75 CE(16:1) 2579368 3003311 1581363 2444514 791021.56 947134.5 725934 815537.94 632416.44 807917 733399.44 778788.25 2579368.25 3003311 1581362.62 2444514.5 CE(18:0) 997586.9 1454004 737996 1177653 997586.94 1454003.62 737996 1177653.12 CE(18:1) 23549480 28676580 10292300 18224530 5845830.5 6822920 4460913.5 5275058 3948439 4119859 4451862.5 4400211.5 23549482 28676584 10292304 18224526 CE(18:2) 3408408 3972197 2439165 3753830 2109563.25 2455610 1703677.62 1926074 2097175 2689950 1974785.62 2203793 3408408.25 3972196.75 2439165.25 3753830 CE(18:3) 254738.4 236888.3 195266 261547.1 240979.73 259386.7 164115.64 187613.56 191994.61 229191.95 201244.06 235871.42 254738.36 236888.33 195265.95 261547.12 CE(20:1) 2792861 2964162 1331660 2414658 362172.41 358837.88 423431.72 400739.16 293053.34 311124.19 394200.78 377154.34 2792861 2964162 1331659.88 2414657.75 CE(20:2) 581656.3 635965.6 219771.8 411890.2 114307.05 149741.48 136676.64 129326.71 141660.05 175754.64 145343.34 143601.33 581656.31 635965.56 219771.75 411890.22 CE(20:3) 517045.5 558416.3 422231.6 553595.8 346927.22 397507.28 285086.78 404921.72 409565.88 418447.28 371332.38 424059.47 517045.5 558416.31 422231.59 553595.88 CE(20:4) 3426596 2930539 2678816 3052721 2679678.25 3234683.25 2222121.75 2552819.25 2616043.5 2783620 2310961.75 2588163 3426595.75 2930539.25 2678815.75 3052721 CE(20:5) 184074 170724.1 143433.2 221296.8 190790.86 210171.12 169701.83 179407.17 195957.75 188800.52 153258.77 141768.17 184074.02 170724.06 143433.23 221296.77 CE(22:0) 256380.6 330938.1 246406.1 321873.6 126961.4 181159.25 113979.81 209631.5 CE(22:1) 865283.4 1124461 641024.8 1036378 142077.05 161543.45 174776.38 230193.62 137756.02 140787.2 180569.83 182520.05 865283.44 1124461.12 641024.81 1036377.56 CE(22:3) 18167.87 27718.24 42444.78 15738.31 64105.81 53476.33 37157.45 32148.34 85166.12 78688.54 59185.33 103282.41 CE(22:4) 45608.28 77733.56 84096.56 96516.84 146819.94 183012.88 45604.39 72214.71 180495.77 201460.86 104195.96 146317.42 CE(22:6) 1134668 933156.2 854628.1 1363250 564335.12 670729.94 610349.81 673504.5 773084 858436.31 636782.75 648105.94 1134668.12 933156.25 854628.19 1363249.5 CE(24:0) 424684.5 490161.1 449031.3 720570 424684.5 490161.09 449031.28 720570 CE(24:1) 1937608 2259092 1474424 2442284 263483.5 251240.83 394592.72 411715.53 201367.98 187884.55 402429.88 372590.03 1937608 2259092.25 1474424 2442283.75 CE(26:0) 397712.8 441881.6 495555.2 777277.4 41907.9 49833.49 107913.48 128185.26 26472.71 17376.99 83288.6 88320 397712.78 441881.59 495555.22 777277.44 CE(26:1) 1047810 1153751 928869.2 1626741 141363.27 128216.4 276696.62 334298.84 118666.46 104964.19 264154.09 262294.62 1047810 1153750.62 928869.06 1626740.62 CE(28:0) 130278.5 166622 176976.5 281764.4 130278.49 166622.02 176976.55 281764.38 CE(28:1) 574371.6 694135.1 594710.3 962553.8 70330.8 79802.16 168942.2 194985.52 30734.31 51078.37 143686.83 151701.25 574371.56 694135 594710.31 962553.75 CE(30:0) 92205.04 105557.4 89362.91 154244.6 92205.04 105557.43 89362.91 154244.62 CE(30:1) 965653.7 1162356 888319.5 1669988 112811.04 128835.01 276564.28 285007.41 56663.91 77122.13 261846.48 221877.31 965653.69 1162356.5 888319.5 1669988.12 CE(30:2) 51598.47 70894.98 67850.77 100088 3676.86 0 25314.66 24874.77 0 2612.75 23406.65 11010.63 51598.47 70894.98 67850.77 100087.99 CE(32:1) 1835130 2257339 1546558 2452921 272534.66 267722.09 375239.72 497488.34 103734.41 96117.87 303713.44 323826.34 1835129.38 2257339.25 1546557.62 2452920.75 CE(32:2) 184865 182028.7 148407.1 252120.8 31694.71 19376.12 58996.96 53269.23 19181.42 4506.85 58118.91 36793.94 184864.95 182028.67 148407.08 252120.83 CE(34:1) 927617.2 1136863 512762.4 773142.8 150871.75 125122.13 133309.38 159918.3 49117.53 56057.76 104238.51 101012.03 927617.19 1136863.38 512762.41 773142.81 CE(34:2) 191409.5 206942.9 100543.8 162882.1 191409.5 206942.88 100543.84 162882.14 CE(34:4) 72376.93 96616.2 44496.57 71508.06 72376.93 96616.2 44496.57 71508.06 CE(34:5) 182817 215267.3 146802.8 229061.5 182817.02 215267.33 146802.78 229061.5 CE(34:6) 183110.2 191207.9 140443.2 210879.2 183110.2 191207.92 140443.22 210879.2 CE(36:1) 142165.6 154780.1 58925.64 88669.53 142165.62 154780.08 58925.64 88669.53 CE(36:2) 82741.62 92594.62 30011.04 31545.56 82741.62 92594.62 30011.04 31545.56 CE(36:6) 253424.9 296679.6 83691.16 129143.8 253424.92 296679.62 83691.16 129143.75 DG(30:0) 1418516 3057811 1779154 2694845 1088652 1277540 1898137 1945360 1257884 1628480 1889782 3220298 DG(32:0) 7831592 14047660 9550883 14983010 7421246 7243442 4622723 4664206 6295696 7665014 7823938 11324900 DG(32:1) 2137656 3806468 3160694 3789764 2252192 2958905 2128481 2333662 797153.6 992374.2 1445184 2239713 DG(34:0) 6342098 11234130 9734945 12885410 3932152 3775841 3291975 2180906 16352470 7074726 12515980 8690856 DG(34:1) 17025650 24445430 19843780 23686690 9945273 1.29E+07 8427914 8076082 3741535 4973126 7206600 12218570 DG(34:2) 1953020 2639302 2473462 2801402 1149152 1564660 843320.5 976573.6 2199258 1828412 2053608 2214050 DG(36:0) 3309634 1523196 4906032 1252124 53284860 19797060 33329530 20020470 DG(36:1) 18156960 19941100 17346830 20935110 4166531 4268472 2120701 2290674 1267998 1674552 2918663 4257888 DG(36:2) 6461258 10319400 7995918 10610000 3675629 4369036 2347183 2740983 1434818 2000182 2894359 5097493 DG(36:3) 538126.2 651805.4 630972.2 860351.3 210153.8 264698 556760.1 796905.5 DG(36:4) 920535.8 1339512 1053495 1071160 487681.6 687248.5 991714.8 1543628 DG(38:1) 1143682 1256974 1387518 1862715 270344.6 273623.7 189988.3 171565.1 DG(38:2) 3966589 4034673 2609657 3288168 621499.2 647113.7 364909.2 415864.6 250358.9 350432.9 745997.7 993797.9 DG(38:3) 5670974 6703608 5038002 5809314 1046769 1097484 659290.8 759802.8 545492.9 755992.6 1365275 3034698 DG(38:4) 15964820 19980640 16953670 17479240 4284486 4016263 2777557 3439679 3459677 5089142 7951560 16313520 DG(38:5) 939106.2 1487211 1379985 1386695 511488.8 715704.6 403379.2 490130.8 636428.6 991441.9 1676875 2864306 DG(40:0) 285080.9 454097.1 856672.2 1364535 4779166 1714198 3536923 2255331 DG(40:1) 313382.9 409164 561610.6 937207.2 164663.3 167053.3 115569.1 116167.8 90689.09 112381.2 227605.3 256642.3 DG(40:2) 408870.1 460821.4 405295.8 501728.2 123346.8 148213.2 63534.26 68708.09 DG(40:3) 331190 396754.2 212303.7 260616.6 DG(40:4) 1338309 1723660 1786904 1703097 290283.5 329398.3 163942.6 202711.6 189084.8 254603.7 552790.2 902716.7 DG(42:0) 798503.5 88224.09 81688.47 78893.79 73868.38 15199280 5596682 9000679 5830382 DG(42:1) 222139.9 354297.1 526464.2 14963400 98199.15 110202.8 76018.4 72417.87 44864.67 56389.86 123938.3 174712.3 DG(42:2) 142241.9 208652.9 270618 1008072 82379.12 99325.24 50417.52 59480.77 36865.05 46058.48 115207.8 140153.6 DG(46:0) 6474254 9047331 5405535 1928386 79171.83 95005.59 531532.2 616151.6 804083.9 1045352 3971951 5441004 DG(46:1) 917760.2 1392254 1068285 23853050 10501.65 19184.4 201429 198320.1 135725.8 250082.2 1010588 1293834 DG(48:0) 31561300 41670470 23337340 22758700 750874.1 779715.5 2299131 2175060 2044250 2541688 8345354 11942060 DG(48:1) 16334560 22697910 13657590 85953110 314396.7 375287.8 1700768 1651323 1512274 1700730 7413790 10237430 LPE(16:0) 24926.52 46290.92 42443.69 27499.42 45027.59 85192.45 70934.23 92371.48 34318.97 57519.56 72057.77 79857.09 LPE(16:1) 18378.91 47949.88 43192.29 17353.96 8060.01 20526.85 22470.67 23390.31 7403.04 13514.66 11892.2 14200.09 LPE(18:0) 75354.29 72849.54 66184.8 72774.77 28597.5 23710.4 39820.27 42489.03 19239.08 22621.05 44790.8 57509.33 LPE(18:1) 310283.1 948242.8 678893.2 4288666 388635.25 717510.06 797032.75 387940.53 222645.23 355423.72 589128.94 739652.19 189837.42 324993.12 410099.16 458906.72 LPE(20:1) 227567.42 559949.5 634253.75 253754.17 252362.92 459587.12 740852 892695.81 204147.17 362238.53 577413.19 647153.88 LPE(20:2) 23045.16 56811.27 49801.2 26866.41 11191.73 33159.12 45464.83 45999.32 16662.4 23617.92 38100.74 50781.83 LPE(20:3) 34359.53 75391.61 94158.25 32485.51 12253.81 42572.05 65444.42 77970.68 20341.38 37587.44 53846.29 71590.51 LPE(20:4) 96701.99 257956.83 335289.22 151494.06 92497.94 129610.76 178110.33 237259.62 76000.84 138974.5 216449.39 234882.92 LPE(22:1) 11299.51 71462.68 55916.46 9197.6 34782.43 97898.95 108932.57 101760.68 34479.69 60687.03 96140.73 113651.38 LPE(22:2) 6996.69 53526.9 57410.04 21114.49 19725.41 48236.23 52497.52 58409.27 24477.29 52364.83 69366.16 68335.43 LPE(22:3) 30356.43 72095.41 86575.4 34449.92 52615.14 107768.09 66241.09 103486.99 45419.98 89925.05 120878.13 124076.79 LPE(22:4) 153939.2 426074.72 589026.94 267726.28 260289.2 418464.78 473152.72 587669.69 229455.92 377725.38 723230 797853.25 LPE(22:5) 64439.11 200663.33 265730.16 144996.56 93890.59 126582.16 194347.89 246986.11 68540.33 116103.12 243194.73 280014.12 LPE(22:6) 42361.5 105361.79 214486.06 94924.32 42310.96 83777.46 119605.53 129421.75 44678.56 84664.73 128421.62 152175.03 LPE(24:0) 65557.41 83653.06 85252.51 83688.59 0 4126.21 34280.58 35339.45 1853.12 3145.28 10203.06 14454.64 LPE(24:4) 9432.08 28116.76 47495.09 11640.18 15827.36 57917.39 40884.54 64674.26 25773.58 40590.83 83221.47 83514.83 LPE(24:5) 11847.53 37553.67 69193.6 19330.55 30827.95 50696.79 55670.44 71505.52 31748.56 43409.88 73351.12 90473.47 PE(30:0) 176704 270076.09 221248.12 253791.8 110061.91 95153.59 106712.45 117133.66 21280.95 30542.65 31769.79 50482.68 PE(32:0) 1578884.38 1521185.62 430115 472935.41 635055.75 664844.75 272474.41 343232.28 123339.56 174389.17 143030.88 223910.23 PE(32:1) 460424.7 1117594 726676.8 1228830 2142060.75 4132082 1983675.62 2292779.5 415145.78 464286.16 338635.69 392972.25 PE(34:1) 4338150 10892630 8630987 17012840 23787874 29705504 22098530 23064326 6028216 6822080.5 7271701.5 8192973.5 1725664.88 2004787.5 2055679.62 3113442.75 PE(34:2) 4939240.5 10359855 4757973 5228858 270633.38 330250 236849.19 270526.38 124472.3 159029.44 153533.38 217246.42 PE(36:1) 5670990 14183030 11212300 23046490 21734866 25097274 22569226 22305104 6113729.5 7719773.5 10183217 10966798 1841706.62 2499372.75 3462703 5239492.5 PE(36:2) 3525212 9014484 6772436 13100500 18907330 23723302 17633016 16471008 2429600.5 2715651.75 2464443.75 2993269.75 1034531.5 1450719 1473466.62 2267952 PE(36:3) 175291.5 475377.1 147806 864132.6 870933.56 1402643.38 1586042 1768049.5 191879.2 253681.12 318879.19 374604.62 50994.92 106566.62 135039.14 205992 PE(36:4) 158726.9 423256.3 595255.7 997402.6 2480885.25 4892170.5 4603067.5 5118705.5 453380.84 505346.16 428455.34 584712.06 146250.66 204065.17 250792.67 417428.88 PE(38:1) 168954.6 474117.4 406571.3 953682.8 69187.99 85647.04 132512.3 212887.23 PE(38:2) 364312.8 1298560 1025113 2310269 2102370.75 2759081.75 1902677.88 2050766.62 458119.28 584978.69 565183.62 759358.56 151997.61 200847.92 257056.56 468160.72 PE(38:3) 370862.7 1006533 820837.2 1706949 1409208.88 1886707.12 2378286.5 2331591.25 490112.38 662731.44 862092.25 1129568.38 154599.77 216773.12 371632.78 570858 PE(38:4) 1863306 5186690 5366811 10004020 11066287 18980590 15413968 18619280 3403847.75 4322012 4183233.25 5696232.5 1196876.38 1710222.5 2721808.75 3684569.25 PE(38:5) 151567.2 516991.4 584908.1 926195.1 1892794.5 1996039.5 3381701 3110879.75 451628.03 575466.5 335073.66 433420 75190.49 135165.25 0 0 PE(38:6) 20431.42 40292.41 128289.9 292746.2 1003696.19 2036390.62 3154256 3180655.25 122651.38 91771.23 232184.77 236803.69 59534.89 68377.63 105380.05 112083.04 PE(40:1) 170952 432875 401963.9 1044171 793416.19 833348.31 551428.06 617072.62 267399.66 264366.09 333998 339802.97 86903.21 114699.88 156567.31 243836.25 PE(40:2) 128383.7 402581.7 361164.4 734447 96404.27 124536.16 186167.12 333755.75 PE(40:4) 320943.5 1048532 1281551 2498504 1889989 1723377.12 2969974.25 3000057 611095.56 731216.5 715300.31 912722.31 173771.67 218405.58 543032.44 865131.31 PE(40:5) 101988.6 509331.9 371382.2 1466197 1889781.38 2290982.75 2842258 3145709.75 555789.69 593869.62 685057.56 809834.94 0 0 0 228371.64 PE(40:6) 283783.4 975692.6 1250598 3021980 2674045.75 4052634.75 7296166.5 7763560 1019912.44 1289302 1872367.88 2176606.5 360208.97 479151 731320.44 1125963.62 PE(42:1) 200246.5 515157.8 593952 1475539 526352.19 636774.75 599677.69 619988.31 264723.34 278267.75 476017.38 454201.34 106668.31 143606.61 230234.38 417120.75 PE(42:2) 17697.02 138917.3 137671.7 425822.8 308867.09 312999.75 331509.53 365242.91 121792.88 166947.31 196634.83 216978.44 51859.25 65609.46 115296.04 187672.7 PE(42:4) 20698.71 60925.09 91360.73 167837.1 19410.02 28599.04 67375.73 93135.71 PE(44:4) 27209.72 122654.7 171284.7 456232.3 213601.73 233133 272407.16 256050.75 69948.77 84751.2 119864.19 166022.92 26459.06 33298 65591.12 98051.79 PE(44:5) 6308.62 44945.12 83845.55 217692.4 20648.1 23126.55 54752.58 103285.06 PE(46:6) 25436.87 25722.77 68866.19 65223.14 5896.62 16627.88 34557.71 50284.06 7447.74 10543.95 19814.96 34950.51 PE(O-34:1) 256305.05 228189.81 207451.64 356920.38 103536.32 63100.58 154707.97 180443.48 22074.35 18690.51 55233.02 106751.23 PE(O-36:2) 2966228 7279524 5340638 7744576 6188965.5 6550876.5 6716031.5 8041226 1013982 659094.56 1843806.5 2670749.25 241815.19 144466.28 541162.62 1276599.5 PE(O-36:3) 1678388 4616792 2723538 4055927 2776488.25 3334094 2939866.25 3968852.75 279751.97 161650.73 404503.28 514683.22 72949.53 51586.62 142783.39 319071.62 PE(O-36:5) 1470089 3834476 3477713 5339329 5425427.5 7004531.5 8706903 10366609 696052.25 371222.03 922624.75 1267687.88 213321.27 136334.95 485927.72 1102778.25 PE(O-38:2) 659980.9 1564358 1155434 1947351 1325317.88 1426827.12 1313912 1658664 285319.16 171251.61 552596.31 593610.56 67390.8 43037.85 184168 419031.66 PE(O-38:4) 248893.9 838851.7 946610.9 1978068 1067594.62 1148926 1379947.88 1475039.88 236419.52 62808.92 333380.66 424500.16 PE(O-38:5) 2266317 5070466 4949562 8308914 4279251.5 4716340.5 6759146.5 7568824 1300508.88 1873993.38 1049019.12 1475283.12 215209.38 151107.14 666409.31 1336931.88 PE(O-38:6) 1096029 2955624 2777422 4366280 3776066.75 5130186.5 7586287.5 8719727 479606.72 248170.61 273591.97 0 153601.86 121636.3 407219.22 934191 PE(O-40:5) 100528.4 441796.3 586472.1 1020918 1134729.88 1478613.62 1772175.5 2321669.5 503842.84 360314.66 501175.16 628426.31 69482.84 39045.89 237605.55 571429.81 PE(O-40:6) 377906.9 1067234 1264801 2078154 1336239.62 1415716.5 2349968 2762789.75 309455.47 176619.94 411593.41 354470.16 75393.38 48291.33 250863.94 493706.34 PG(32:0) 115276.21 121826.34 18568 20097.53 27973.92 35570.89 3600.69 8525.45 27361.01 30263.2 11695.37 16616.35 PG(36:1) 120152.62 198740.98 50481.67 89509.71 26870.76 35630.52 12124.97 9737.68 24196.69 36552.8 32835.61 53267.12 PG(36:2) 22254.87 27146.3 39160.85 33122.91 1606.58 861.11 1905.71 2978.52 4833.32 13467.07 40832.46 59883.07 PI(34:1) 69042.28 229158.2 221406 288907 727412.19 885194.25 777049 871443.5 113289.25 162882.56 217971.86 314116.22 156468.36 193827.56 331661.72 450598.78 PI(36:1) 259272.5 658703 649730.2 859839.2 1402037.88 1771447.62 1097236.25 1174948.88 202573.39 292917.41 507741.38 586199.69 209891.75 273872.03 535969.81 762482.81 PI(36:2) 293880.72 468502.28 379505.59 391438.59 22044.68 33871.02 41753.79 65569.35 66505.94 85922.25 136772.83 196866.7 PI(38:2) 34378.98 106991.5 90880.02 122212.4 203855.11 272711.5 169389.73 192147.08 26181.72 38177.65 68803.41 90545.59 41038.59 48954.76 97725.98 125446.22 PI(38:3) 53086.17 139030.8 114524.9 144698.6 326628.41 444270.12 455332.03 445447.75 65279.55 97175.19 141819.48 186332.83 79028.02 100212.72 251291.02 387721.03 PI(38:4) 76232.93 262320.6 314734.3 435931.1 952405.94 1264918.62 1858212.5 1825563.62 187962.17 313933.78 423147.5 646972.44 419561.25 515439.97 1188508.62 1893614.5 PI(40:4) 58987.1 79202.27 60824.89 89919.71 8186.62 13263.46 19324.46 27897.59 16108.67 14432.41 57988.47 80606.8 TG(42:0) 189452.5 274467.7 241423.2 391477.8 33431.44 45866 87467.15 96743.88 385823.7 567914.8 385823.7 567914.8 TG(44:0) 2197387 2924237 2169265 3413967 71752.45 76768.32 453851.2 452203.4 2438904 3452781 2438904 3452781 TG(44:1) 486529.5 711995.7 534301.1 912980 18006.36 24088.15 181948.5 186757.8 825730.3 1293410 825730.3 1293410 TG(46:0) 13552300 20176180 13492910 22476470 331779.3 356422.5 1699838 1746059 8436649 1.40E+07 8436649 1.40E+07 TG(46:1) 6909056 7991524 6579758 10057980 129884.8 169677.1 1334518 1392566 6994294 9628153 6994294 9628153 TG(46:2) 552162.1 631165.8 531252.7 800443.3 21985.32 28464.95 169844.8 158982.3 869807.3 1163499 869807.3 1163499 TG(48:0) 37063160 54062720 34149150 55670500 1049968 1122243 2924896 3264174 1.38E+07 2.04E+07 1.38E+07 2.04E+07 TG(48:1) 61984350 68290540 46604200 71951590 1051310 1088076 5423840 5826848 3.68E+07 5.18E+07 3.68E+07 5.18E+07 TG(48:2) 8661015 9819688 7086712 11861100 214060.8 254020.4 1180541 1188204 6590176 9835387 6590176 9835387 TG(48:3) 274870.6 303571.9 219059.6 353692.8 446325.2 544041.8 446325.2 544041.8 TG(50:0) 19659320 31162290 28310260 43022240 931520 921617.1 1884168 1779501 7360794 1.22E+07 7360794 1.22E+07 TG(50:1) 162276100 228477300 148151700 255711000 3132370 3764891 1.17E+07 1.34E+07 7.63E+07 1.08E+08 7.63E+07 1.08E+08 TG(50:2) 57012270 68432780 47087380 86363780 1305628 1472526 5609398 5875432 3.84E+07 5.70E+07 3.84E+07 5.70E+07 TG(50:3) 3157509 3254909 2439338 3929149 101282.2 113583.6 476364.5 513927.5 3278466 4647035 3278466 4647035 TG(52:0) 5118900 8275490 8384706 14865500 359722.2 395376.3 559983.8 545526.4 2138743 2785243 2138743 2785243 TG(52:1) 58712000 89317930 66841960 112984900 1523231 1738659 4328614 4813246 2.63E+07 3.43E+07 2.63E+07 3.43E+07 TG(52:2) 195547300 232947800 143327400 243829400 3455421 3817551 1.24E+07 1.25E+07 1.30E+08 1.92E+08 1.30E+08 1.92E+08 TG(52:3) 20038280 24590370 14254470 26657410 533372.2 623130.9 1992131 2102480 1.66E+07 2.15E+07 1.66E+07 2.15E+07 TG(52:4) 797669.9 996954.5 546745.2 989254.1 44574.41 49393.15 143333.8 150420.3 1208727 1737190 1208727 1737190 TG(54:0) 1064805 1394472 2159478 3196079 122067.2 107306.2 187529 159162 1140821 1352753 1140821 1352753 TG(54:1) 9523435 14502600 14822880 22190430 340778.9 358677.8 872739.8 966931.7 4531376 5580074 4531376 5580074 TG(54:2) 47921940 64291410 46477470 76884430 1000870 1065922 3299476 3336672 2.40E+07 3.24E+07 2.40E+07 3.24E+07 TG(54:3) 44653960 51831440 33293300 55660710 954153.3 1045253 3587927 3562865 2.69E+07 3.62E+07 2.69E+07 3.62E+07 TG(54:4) 2885813 3377436 1948277 2935469 116999.6 120184.2 388756.3 412892 3660171 5183362 3660171 5183362 TG(56:0) 809656.7 1127066 1851981 2803015 42296.1 46400.52 85160.17 97933.22 322302.2 402111.9 322302.2 402111.9 TG(56:1) 2476327 2918543 4264349 7096998 68632.15 99240.16 276521.4 276014.8 1256538 1911181 1256538 1911181 TG(56:2) 6120550 7663088 7877282 9816936 164782.3 194186.2 572854.8 564228.8 3762088 4880234 3762088 4880234 TG(56:3) 8827983 9427280 6916746 13624480 171909.7 202288.6 716427.7 729921.5 5321024 8147074 5321024 8147074 TG(56:4) 997971.2 1251685 803669.4 1431227 1299350 1927632 1299350 1927632 TG(56:6) 330811.5 341797.7 283972.2 577762.2 878349.8 1097402 878349.8 1097402 TG(58:0) 515406 794142.2 1431314 2402398 205920.6 262131.4 205920.6 262131.4 TG(58:1) 2283457 3119456 4313328 6963580 66354.19 79798.93 226297.1 228975.3 1013442 1233077 1013442 1233077 TG(58:2) 2651835 3262271 3798385 5899238 90211.1 80639.91 283733 334690.3 2007910 2618079 2007910 2618079 TG(58:3) 1744126 1963745 1675429 3199115 57017.96 59200.29 174337.6 167307.7 1296788 1869670 1296788 1869670 TG(60:0) 201952.6 275434.5 574046.3 992353.7 TG(60:1) 1145191 1532959 2723675 4169530 589643.1 813608.6 589643.1 813608.6 TG(60:2) 1711389 2214659 2755027 4385410 53879.27 63174.93 204093.5 202582.4 1140114 1790111 1140114 1790111 TG(60:3) 984295.8 1157990 1344613 2035946 866180.4 1097232 866180.4 1097232 TG(62:0) 79547.45 104085.7 235674 353942 TG(62:1) 553442.1 787249.8 1331861 2051032 268364.1 410241.5 268364.1 410241.5 TG(62:2) 797502.8 946470.4 1476630 2431533 29719.61 26007.08 117163.7 125873.4 587166.8 757394.2 587166.8 757394.2 TG(62:3) 351822.8 423666.5 657904.2 953993.2 442581.6 712652.2 442581.6 712652.2 TG(64:0) 27310.67 40171.26 86670.12 128884.4 TG(64:1) 511293 667755.6 1116734 1550645 188698.1 276770.9 188698.1 276770.9 TG(64:2) 710657.2 906090.8 1448174 2225374 29476.03 30758.17 118619.4 129216 373598.8 597089.4 373598.8 597089.4 TG(64:3) 253517.5 270353.2 419112 649554 230386.4 345469.7 230386.4 345469.7 TG(66:1) 386022.4 507372.5 587668.8 832371.2 76261.84 138169.4 76261.84 138169.4 TG(66:2) 1029297 1360194 1602800 2740606 420223.8 654998.1 420223.8 654998.1 TG(66:3) 353028.2 435049.4 598702.4 951891.2 260473.2 347967 260473.2 347967 TG(68:2) 689973.7 908093.9 803606.3 1332376 188280.8 274864.8 188280.8 274864.8 TG(68:3) 506131.9 580327.2 647161.7 1045792 223112.1 350339.1 223112.1 350339.1 TG(70:2) 181971.2 209673.6 209726.3 323750.2 90117.46 138079.5 90117.46 138079.5 TG(70:3) 291382.2 379428.8 312245.7 459675 89180.94 137283.6 89180.94 137283.6 METABOLITES_END #END