#METABOLOMICS WORKBENCH AnthonyDon_20240320_214956 DATATRACK_ID:4732 STUDY_ID:ST003168 ANALYSIS_ID:AN005198 PROJECT_ID:PR001927 VERSION 1 CREATED_ON April 12, 2024, 9:12 am #PROJECT PR:PROJECT_TITLE The Human Cardiac “Age-OME”: Age-specific changes in myocardial molecular PR:PROJECT_TITLE expression PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY A substantial proportion of the World’s population is ageing. One of the most PR:PROJECT_SUMMARY significant risk factors for heart disease is ageing. However, we do not PR:PROJECT_SUMMARY understand how the human heart changes with age. Taking advantage of a unique PR:PROJECT_SUMMARY set of pre-mortem, cryopreserved, non-diseased human hearts, we performed PR:PROJECT_SUMMARY multi-omic analyses (transcriptomics, proteomics, metabolomics and lipidomics), PR:PROJECT_SUMMARY coupled with biological computational modelling in younger (<25 years old) and PR:PROJECT_SUMMARY older hearts (>50 years old) to describe the molecular landscape of human PR:PROJECT_SUMMARY cardiac ageing. In older hearts, we observed a downregulation of proteins PR:PROJECT_SUMMARY involved in calcium signalling and of the contractile apparatus itself. In PR:PROJECT_SUMMARY addition, we found a potential counteractive upregulation of central carbon PR:PROJECT_SUMMARY generation of fuel, upregulation of glycolysis and increases in long-chain fatty PR:PROJECT_SUMMARY acids. This is the first molecular data set of normal human cardiac ageing, PR:PROJECT_SUMMARY which may have important implications for the development of age-related heart PR:PROJECT_SUMMARY disease. PR:INSTITUTE University of Sydney PR:DEPARTMENT School of Medical Sciences PR:LABORATORY Cardiometabolic Medicine PR:LAST_NAME Don PR:FIRST_NAME Anthony PR:ADDRESS The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006 PR:EMAIL anthony.don@sydney.edu.au PR:PHONE +61 2 8627 5578 #STUDY ST:STUDY_TITLE Lipidomic analysis of cryopreserved human cardiac tissue from young and ageing ST:STUDY_TITLE adults ST:STUDY_SUMMARY Untargeted lipidomic analysis was performed to measure lipids in left ST:STUDY_SUMMARY ventricular heart tissue from pre-mortem healthy donor hearts, as classified by ST:STUDY_SUMMARY formal pathological examination. Hearts were stored at the Sydney Heart Bank. ST:STUDY_SUMMARY Samples were divided into young (age ≤ 25 years) and old (age ≥ 50 years) ST:STUDY_SUMMARY cohorts. Lipidomic analysis used liquid chromatography-tandem mass spectrometry ST:STUDY_SUMMARY (LC-MS/MS) on a high resolution Q-Exactive HF-X Quadrupole-Orbitrap mass ST:STUDY_SUMMARY spectrometer, operated in both positive and negative ionisation mode. ST:INSTITUTE University of Sydney ST:DEPARTMENT Medicine and Health ST:LABORATORY Lipid Metabolism and Neurochemistry ST:LAST_NAME Don ST:FIRST_NAME Anthony ST:ADDRESS The Hub, Charles Perkins Centre, D17, The University of Sydney, NSW, 2006 ST:EMAIL anthony.don@sydney.edu.au ST:PHONE +61 2 8627 5578 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 23 ST:NUM_MALES 15 ST:NUM_FEMALES 8 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE Young donors (aged 25 years or younger) and older donors (aged 50 years or SU:AGE_OR_AGE_RANGE older). SU:GENDER Male and female #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 young_1 young_1 Sample source:Heart | Sex:M | Age group:young Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=78 SUBJECT_SAMPLE_FACTORS young_2 young_2 Sample source:Heart | Sex:M | Age group:young Age=14; Diabetes=No; RAW_FILE_NAME(rawdata name)=79 SUBJECT_SAMPLE_FACTORS young_3 young_3 Sample source:Heart | Sex:M | Age group:young Age=16; Diabetes=No; RAW_FILE_NAME(rawdata name)=80 SUBJECT_SAMPLE_FACTORS young_4 young_4 Sample source:Heart | Sex:M | Age group:young Age=17; Diabetes=No; RAW_FILE_NAME(rawdata name)=81 SUBJECT_SAMPLE_FACTORS young_5 young_5 Sample source:Heart | Sex:M | Age group:young Age=18; Diabetes=No; RAW_FILE_NAME(rawdata name)=82 SUBJECT_SAMPLE_FACTORS young_6 young_6 Sample source:Heart | Sex:M | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=83 SUBJECT_SAMPLE_FACTORS young_7 young_7 Sample source:Heart | Sex:F | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=84 SUBJECT_SAMPLE_FACTORS young_8 young_8 Sample source:Heart | Sex:M | Age group:young Age=19; Diabetes=No; RAW_FILE_NAME(rawdata name)=85 SUBJECT_SAMPLE_FACTORS young_9 young_9 Sample source:Heart | Sex:M | Age group:young Age=21; Diabetes=No; RAW_FILE_NAME(rawdata name)=86 SUBJECT_SAMPLE_FACTORS young_10 young_10 Sample source:Heart | Sex:F | Age group:young Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=87 SUBJECT_SAMPLE_FACTORS young_11 young_11 Sample source:Heart | Sex:M | Age group:young Age=23; Diabetes=No; RAW_FILE_NAME(rawdata name)=88 SUBJECT_SAMPLE_FACTORS young_12 young_12 Sample source:Heart | Sex:F | Age group:young Age=25; Diabetes=No; RAW_FILE_NAME(rawdata name)=89 SUBJECT_SAMPLE_FACTORS old_1 old_1 Sample source:Heart | Sex:F | Age group:old Age=51; Diabetes=No; RAW_FILE_NAME(rawdata name)=94 SUBJECT_SAMPLE_FACTORS old_2 old_2 Sample source:Heart | Sex:M | Age group:old Age=53; Diabetes=No; RAW_FILE_NAME(rawdata name)=95 SUBJECT_SAMPLE_FACTORS old_4 old_4 Sample source:Heart | Sex:M | Age group:old Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=97 SUBJECT_SAMPLE_FACTORS old_5 old_5 Sample source:Heart | Sex:F | Age group:old Age=54; Diabetes=No; RAW_FILE_NAME(rawdata name)=98 SUBJECT_SAMPLE_FACTORS old_7 old_7 Sample source:Heart | Sex:F | Age group:old Age=55; Diabetes=No; RAW_FILE_NAME(rawdata name)=99 SUBJECT_SAMPLE_FACTORS old_8 old_8 Sample source:Heart | Sex:M | Age group:old Age=56; Diabetes=No; RAW_FILE_NAME(rawdata name)=100 SUBJECT_SAMPLE_FACTORS old_9 old_9 Sample source:Heart | Sex:M | Age group:old Age=60; Diabetes=No; RAW_FILE_NAME(rawdata name)=101 SUBJECT_SAMPLE_FACTORS old_10 old_10 Sample source:Heart | Sex:M | Age group:old Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=102 SUBJECT_SAMPLE_FACTORS old_11 old_11 Sample source:Heart | Sex:F | Age group:old Age=62; Diabetes=No; RAW_FILE_NAME(rawdata name)=103 SUBJECT_SAMPLE_FACTORS old_12 old_12 Sample source:Heart | Sex:M | Age group:old Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=104 SUBJECT_SAMPLE_FACTORS old_13 old_13 Sample source:Heart | Sex:F | Age group:old Age=65; Diabetes=No; RAW_FILE_NAME(rawdata name)=105 #COLLECTION CO:COLLECTION_SUMMARY Control donor hearts that were considered suitable for transplantation but CO:COLLECTION_SUMMARY ultimately not used due to factors such as transport issues, immune mismatches, CO:COLLECTION_SUMMARY and size discrepancies between donor and recipient, were collected in this CO:COLLECTION_SUMMARY study. These hearts came from individuals who died of non-cardiac reasons and CO:COLLECTION_SUMMARY had no risk factors for heart disease, including having a BMI under 30. CO:COLLECTION_SUMMARY Following a thorough pathological review, these hearts were confirmed to be CO:COLLECTION_SUMMARY structurally normal through histological evaluation. Left ventricular (LV) CO:COLLECTION_SUMMARY samples were taken directly in the operating room, immediately snap-frozen in CO:COLLECTION_SUMMARY liquid nitrogen at -196°C, and then stored at the Sydney Heart Bank at the CO:COLLECTION_SUMMARY University of Sydney, at temperatures ranging from -170 to -180°C. This CO:COLLECTION_SUMMARY collection process received ethical approval from the University of Sydney's CO:COLLECTION_SUMMARY Ethics Committee (USYD # 2021/122). CO:COLLECTION_PROTOCOL_ID CO003212 CO:SAMPLE_TYPE Heart CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY The samples detailed in this study did not undergo any treatment. TR:TREATMENT_PROTOCOL_ID TR003228 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were extracted from ~20 mg heart tissue using a two-phase method with SP:SAMPLEPREP_SUMMARY methyl-tert-butyl ether (MTBE) and water. Tissue was homogenised with steel SP:SAMPLEPREP_SUMMARY beads in 250 µL methanol containing 0.01% (w/v) butylhydroxytoluene (BHT) and SP:SAMPLEPREP_SUMMARY mass spectrometry internal standards: 2 nmoles PC(19:0/19:0); 1 nmole each of SP:SAMPLEPREP_SUMMARY SM(d18:1/12:0), GluCer(d18:1/12:0), Cer(d18:1/17:0), PS(17:0/17:0), SP:SAMPLEPREP_SUMMARY PE(17:0/17:0), PA(17:0/17:0), PI(d7-18:1/15:0), PG(17:0/17:0), SP:SAMPLEPREP_SUMMARY CL(14:0/14:0/14:0/14:0), and TG(17:0/17:0/17:0); 0.5 nmoles each of SP:SAMPLEPREP_SUMMARY DG(d7-18:1/15:0), CholE(17:0), LPC (17:0), LPE(17:1), and AcCa(d3-16:0); and 0.2 SP:SAMPLEPREP_SUMMARY nmole each of Sph(d17:1), S1P(d17:1), LacCer(d18:1/12:0), and MG(d7-18:1). MTBE SP:SAMPLEPREP_SUMMARY (850 µL) was added, and samples were sonicated in a 4°C water bath for 30 min. SP:SAMPLEPREP_SUMMARY Mass spectrometry grade water (212 µL) was added to induce phase separation SP:SAMPLEPREP_SUMMARY after vortexing and centrifugation at 2000g for 5 min. The upper organic phase SP:SAMPLEPREP_SUMMARY was collected in 5 mL glass tubes and the aqueous phase was extracted twice more SP:SAMPLEPREP_SUMMARY with 500 µL MTBE and 150 µL methanol followed by sonication for 15 min and SP:SAMPLEPREP_SUMMARY phase separation with 125 µL water. Organic phases from the three extractions SP:SAMPLEPREP_SUMMARY were combined and dried under vacuum in a Savant SC210 SpeedVac (ThermoFisher SP:SAMPLEPREP_SUMMARY Scientific). Lipids were reconstituted in 400 µL 80% methanol/20% water/0.1% SP:SAMPLEPREP_SUMMARY formic acid containing 0.01% (w/v) BHT and stored at -80 °C. SP:SAMPLEPREP_PROTOCOL_ID SP003225 #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY A ThermoFisher Q-Exactive HF-X mass spectrometer coupled to a Vanquish HPLC with CH:CHROMATOGRAPHY_SUMMARY a Waters Acquity UPLC BEH C18 (100 x 2.1 mm, 1.7 um) column was used for CH:CHROMATOGRAPHY_SUMMARY LC-MS/MS, with minor modifications to our previously-reported method. HPLC CH:CHROMATOGRAPHY_SUMMARY solvent A was 10 mM ammonium formate, 0.1% formic acid in acetonitrile:water CH:CHROMATOGRAPHY_SUMMARY (60:40), and solvent B was 10 mM ammonium formate, 0.1% formic acid in CH:CHROMATOGRAPHY_SUMMARY isopropanol:acetonitrile (90:10). A 27 min binary gradient at 0.28 mL/min was CH:CHROMATOGRAPHY_SUMMARY used: 0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B; CH:CHROMATOGRAPHY_SUMMARY 13 min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27 CH:CHROMATOGRAPHY_SUMMARY min, 70:30 A/B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters HPLC C18 (100 x 2.1mm, 1.7um) CH:SOLVENT_A 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0 min, 80:20 A/B; 3 min, 80:20 A/B; 5.5 min, 55:45 A/B; 8 min, 35:65 A/B; 13 CH:FLOW_GRADIENT min, 15:85 A/B; 14 min, 0:100 A/B; 20 min, 0:100 A/B; 20.2 min, 70:30 A/B; 27 CH:FLOW_GRADIENT min, 70:30 A/B CH:FLOW_RATE 0.28 mL/min CH:COLUMN_TEMPERATURE 32 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Data was acquired in full scan/data-dependent MS2 mode (full scan resolution MS:MS_COMMENTS 60,000 FWHM, scan range 220–1600 m/z). Sample order was randomised, and data MS:MS_COMMENTS was collected in both positive and negative mode for each sample. The ten most MS:MS_COMMENTS abundant ions in each cycle were subjected to MS2, with an isolation window of MS:MS_COMMENTS 1.4 m/z, collision energy 30 eV, resolution 17,500 FWHM, maximum integration MS:MS_COMMENTS time 110 ms and dynamic exclusion window 10 s. An exclusion list of MS:MS_COMMENTS background ions was used based on a solvent blank. An inclusion list was used MS:MS_COMMENTS for all internal standards. LipidSearch software (version 4.2, Thermo Fisher) MS:MS_COMMENTS was used for lipid annotation, chromatogram alignment, and peak integration. MS:MS_COMMENTS Lipid annotation required both accurate precursor ion mass (tolerance 5 ppm) and MS:MS_COMMENTS diagnostic product ions (tolerance 8 ppm). Individual lipids were expressed as MS:MS_COMMENTS ratios to the class-specific internal standard, then multiplied by the amount of MS:MS_COMMENTS internal standard to calculate molar amounts for each lipid. Lipid levels were MS:MS_COMMENTS expressed as nmoles/mg tissue. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmoles/mg tissue MS_METABOLITE_DATA_START Samples young_1 young_2 young_3 young_4 young_5 young_6 young_7 young_8 young_9 young_10 young_11 young_12 old_1 old_2 old_4 old_5 old_7 old_8 old_9 old_10 old_11 old_12 old_13 Factors Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:F | Age group:old AcCa(10:0)+H 0.362467522 1.253621406 0.589146832 0.736702008 4.523508561 0.006904909 8.397546787 0.12513828 0.231662081 7.290310622 0.645645012 0.329894129 1.59372977 0.394478499 0.56762472 0.262200676 0.151346685 0.200438748 0.418258306 0.478204126 0.269815697 2.681197252 0.394372914 AcCa(10:1)+H 0.025666484 0.069134792 0.017770574 0.059811189 0.13906544 0.009878045 0.213499444 0.024202354 0.064850189 0.242790426 0.104077443 0.075236949 0.048488819 0.063582986 0.074143698 0.036022637 0.025426569 0.008766467 0.071816625 0.036879944 0.054844859 0.138613172 0.054895404 AcCa(12:0)+H 0.363294456 0.800872672 0.379949206 0.74953815 2.211232689 0.019148435 3.407287208 0.142934531 0.447444143 3.951070321 0.903638517 0.397924153 1.037475771 0.616454646 0.700232716 0.42126317 0.236116665 0.254516646 0.805174132 0.669276322 0.721096898 1.415753412 0.468513987 AcCa(12:1)+H 0.074629317 0.113261643 0.02057845 0.188288263 0.090293236 0.027113006 0.02967299 0.042557363 0.137642128 0.262791774 0.102204926 0.159574229 0.200524904 0.173895886 0.404882061 0.104226334 0.036832182 0.020482271 0.30394986 0.090221541 0.200306909 0.112960534 0.090435869 AcCa(13:0)+H 0.121564946 0.06778118 0.018459005 0.10709829 0.074346462 0.048280135 0.113106861 0.024589547 0.130260613 0.398869652 0.201671736 0.131321734 0.119984856 0.063569738 0.120594267 0.063951451 0.032850499 0.068157622 0.182016387 0.202853153 0.32945876 0.076236917 0.167981898 AcCa(14:0)+H 3.175058529 3.265216552 1.07132465 2.625372979 4.455882732 0.545569835 2.395628647 0.618807209 2.818348745 4.936890554 3.924430055 2.639679652 6.100767285 2.469091318 3.898479553 2.697806245 0.718576101 0.812779457 4.84001115 7.132078702 3.541627028 4.155798903 1.730665425 AcCa(14:2)+H 0.020422121 0.04413321 0.029814438 0.041278942 0.087922116 0.001478326 0.007271079 0.022676425 0.118085921 0.038829067 0.075176268 0.080715086 0.169873216 0.081487126 0.356357042 0.110388366 0.052205521 0.009335553 0.325660292 0.137343888 0.189368438 0.093506565 0.073285674 AcCa(16:0)+H 10.00469234 9.719817074 6.665248925 3.749387377 16.84894729 2.411108434 0.84425828 2.209369168 8.810640927 9.972786971 7.400008178 6.087849768 40.46742413 7.90423801 9.546487471 7.606411395 2.016675583 3.716220529 16.54708867 21.23718282 7.41888765 19.62357134 9.113379698 AcCa(16:1)+H 2.888840527 5.155194594 2.128383146 1.781072714 7.057507889 0.912859196 0.153543982 0.863121157 3.933471926 4.51791641 3.553207647 3.511144768 17.15739331 5.32067261 7.595584046 3.985211905 0.627350695 0.663481355 8.370640484 8.525251891 4.885501791 5.782946812 2.045234257 AcCa(17:0)+H 0.363880933 0.6332007 0.196153622 0.299532578 0.725177863 0.081418778 0.051161053 0.119451018 1.199790463 0.681822364 0.391731708 0.376600409 0.883286488 0.573281245 0.533988813 0.233012057 0.072760481 0.297635592 0.335054619 1.541586014 0.842737532 0.409220677 0.983734098 AcCa(18:0)+H 8.708022517 2.303096989 3.796383041 3.497523047 3.939223095 2.539309041 0.134754276 1.738191668 5.792026448 3.484668077 8.141347076 1.693057502 13.65844592 2.61684015 2.711694741 3.102023039 1.178767366 2.416012242 6.889302611 5.093414939 4.896443665 2.517037884 8.038590187 AcCa(18:1)+H 8.983339334 13.69491936 10.24584934 3.787425237 22.58227312 3.499749996 0.471347791 2.255501124 12.38237251 11.41373815 6.317473128 7.91358209 88.69423173 9.000717723 15.52504361 9.541259875 1.990156759 3.539576036 26.40413213 22.12337002 11.04656414 9.474595606 10.61750962 AcCa(18:2)+H 0.719649235 2.63262317 1.484324276 0.917776986 5.332099327 0.863337161 0.17320554 0.373264362 2.565053315 2.130101607 1.034731575 2.018357346 8.965383411 1.776839643 5.906803393 1.567159145 1.076328752 0.607467068 3.737629283 4.852047052 2.810595913 3.281257652 3.470817774 AcCa(18:3)+H 0.022176482 0.220222521 0.105451274 0.037468439 0.270482436 0.033989457 0.013695521 0.023828878 0.214718862 0.245939253 0.034212119 0.205064224 0.705793213 0.189357873 0.392949865 0.100530511 0.066171273 0.061152256 0.249230254 0.494323734 0.226690812 0.302345171 0.121941426 AcCa(19:0)+H 0.888266885 0.372243579 0.214424914 0.525214837 0.410144916 0.161819908 0.020330361 0.201518724 1.099963188 0.539574441 0.97080364 0.2165965 0.50141207 0.450501907 0.358388476 0.201277375 0.082329758 0.292798148 0.122382783 0.926527263 0.866877267 0.254477204 1.008881714 AcCa(19:1)+H 0.301765168 0.765023734 0.183625406 0.311620958 0.815916591 0.072526658 0.032022551 0.122185293 1.758137033 0.810342239 0.313885385 0.370969637 1.232294197 0.671428462 0.725933764 0.224420791 0.047133759 0.234293961 0.184668029 1.672062438 1.404253248 0.389111365 1.279277691 AcCa(20:0)+H 1.738555804 0.021539417 0.122440792 0.467613791 0.040065704 0.045177427 0.003077646 0.191020938 0.17655899 0.074486091 1.330540789 0.024550132 0.130631541 0.019931006 0.032780044 0.178998632 0.154787222 0.079104363 0.175803018 0.074678196 0.084574266 0.077133027 0.720219921 AcCa(20:1)+H 9.597175852 1.29536408 2.463936979 1.992017437 2.223260679 1.525614175 0.037780614 1.075479887 2.401338548 2.118600018 6.158030204 0.638586766 9.195085912 0.443754045 0.829989439 2.618251485 0.470906982 1.095001376 3.486918931 2.654397622 1.168850431 1.426750347 6.471782475 AcCa(20:2)+H 0.832929663 0.579062995 0.797886179 0.433363128 1.218413799 0.171281019 0.026276102 0.3194156 0.68854613 0.773233136 1.100426843 0.332490923 2.275862987 0.170666571 0.572209864 0.702255729 0.280653816 0.290281734 1.095199706 1.268549654 0.293201693 0.931468711 2.417001732 AcCa(20:4)+H 0.028379934 0.041101869 0.102606593 0.103792195 0.081905502 1.43239938 0.007256052 0.012103072 0.082797639 0.047113972 0.057537845 0.115953966 0.251961122 0.155887777 0.396199612 0.166206005 0.076041143 0.01982926 0.241586272 0.117024311 0.420164816 0.077011056 0.084776372 AcCa(21:0)+H 0.310231339 0.007204921 0.017442339 0.12827483 0.009439277 0.006805273 0 0.039657702 0.081587645 0.028663597 0.315409518 0.007245778 0.012135094 0.007643288 0.009014883 0.019132129 0.021948772 0.025143666 0.002102572 0.031036864 0.021471595 0.015364765 0.185250331 AcCa(21:1)+H 0.785610038 0.193237882 0.100665447 0.30473258 0.212883113 0.062262729 0.003574533 0.130818668 0.681410588 0.340652476 0.723448402 0.090376801 0.277776885 0.087212112 0.111359023 0.134569316 0.020176095 0.155030287 0.040525569 0.486602045 0.26720664 0.137464698 1.197956223 AcCa(22:1)+H 2.683980781 0.019646446 0.103641767 0.396012169 0.036233227 0.062457098 0 0.13806172 0.103528731 0.062710503 1.343471733 0.012855098 0.127696638 0.008683997 0.015194281 0.191888312 0.159617532 0.057675896 0.100607047 0.0514309 0.043091155 0.055197661 0.822073654 AcCa(22:2)+H 0.649241533 0.02096649 0.124124201 0.212772661 0.060503317 0.082197206 0.000765949 0.118298558 0.113592143 0.062220895 0.749498815 0.015430788 0.115927461 0.001460817 0.02519751 0.135164974 0.13491945 0.054045696 0.090042953 0.078180957 0.02122731 0.088225534 1.449825927 AcCa(22:4)+H 0.00854012 0.027067193 0.187541541 0.014822248 0.088959482 0.030784676 0.00165219 0.014219752 0.040489385 0.077425751 0.028750269 0.026983279 0.250121679 0.022645035 0.043075733 0.01700822 0.011777329 0.012418458 0.103125001 0.081114607 0.050640665 0.016224445 0.044655148 AcCa(6:0)+H 3.445470955 3.940144707 0.570633233 3.519878946 1.781048727 0.02930042 3.936817155 0.459156161 2.531265671 12.40622813 8.178949863 2.059259062 0.669872421 0.351444085 1.470574106 2.697686096 0.532269394 0.174300725 1.214988585 2.323755075 0.260136392 2.024411877 2.15271375 AcCa(8:0)+H 0.665784674 4.029473458 1.203924831 1.671269282 9.684660823 0.015989239 25.27904181 0.164328002 0.396053622 20.75374295 1.652233499 0.359091872 2.812782204 0.230857638 0.415351334 0.466788712 0.195031904 0.380316684 0.370885575 0.707635233 0.1658408 9.284484369 0.922379989 AcCa(9:0)+H 0.05550984 0.071922889 0.027618546 0.102916615 0.047245269 0.016234754 0.122138236 0.017688557 0.048777714 0.283025945 0.197119918 0.055189494 0.046659527 0.027884902 0.025504085 0.045178519 0.022950604 0.006061528 0.077791461 0.175525292 0.031275927 0.049181076 0.121193149 Cer(d18:1_12:0)+HCOO 0.193258666 0.519103847 0.271477056 0.152954905 0.546794921 1.166395591 0.257046001 0.11988389 0.17965889 0.937000127 0.587027661 0.471344671 0.234467785 0.19708943 0.759959528 1.542892802 0.398027047 0.086011075 1.182898329 0.286291799 0.089948151 0.215237331 0.056148765 Cer(d18:1_16:0)+HCOO 0.901736555 0.933006699 0.483785361 0.861592114 1.508536886 19.62844853 0.953277081 0.602467191 0.823093523 1.416526447 0.965542603 1.107079347 1.118460984 0.979956795 1.5570814 0.623187631 0.863410849 1.068293634 2.062056521 0.875667114 0.789881632 1.104270382 0.981258543 Cer(d18:1_18:0)+HCOO 1.1881738 0.436360494 0.224041779 0.953856559 0.450889654 6.976715869 0.65924961 0.430585483 2.314235382 0.455749666 0.738274424 1.182204146 1.059479554 0.654770115 0.981201113 0.379849503 0.528399488 1.561640904 0.816613069 1.004089715 1.138997313 1.249680621 3.554449938 Cer(d18:1_22:0)+HCOO 0.386348624 0.088535466 0.084279239 0.227670157 0.126788706 0.542337561 0.333445702 0.126306611 0.874602106 0.111835118 0.260571434 0.174427494 0.108080395 0.125702781 0.306690849 0.530962428 0.146495427 0.851238339 0.540530463 0.195519798 0.547813986 0.228227457 1.370657099 Cer(d18:1_23:0)+HCOO 0.13297267 0.069700408 0.086424615 0.160131779 0.167541426 0.266418222 0.173700083 0.062889621 0.363285518 0.089163975 0.131192497 0.080309082 0.080191868 0.078349755 0.134309121 0.463330668 0.090721523 0.562770317 0.528126267 0.105525926 0.28509143 0.119810348 0.46498493 Cer(d18:1_24:0)+HCOO 0.496173453 0.118714508 0.079799403 0.329510101 0.16529555 0.273381832 0.377319605 0.121861029 0.82067235 0.169242418 0.347993287 0.158857611 0.123279888 0.169648515 0.327715648 0.880681915 0.156531089 1.109447979 0.774956438 0.229063157 0.725558526 0.264618799 1.142059479 Cer(d18:1_24:1)+HCOO 1.833892782 0.513306959 0.500337985 0.619602111 0.772348643 3.002173014 1.133200521 0.330836132 3.512128667 0.495673893 0.904995396 0.758355524 0.788255805 0.684319941 0.976990888 1.001182033 0.735137053 4.754664286 1.168942768 0.861139246 2.352100165 1.955374368 3.209515438 Cer(d18:2_18:0)+HCOO 0.511700689 0.772798533 0.327616396 0.477980995 0.674904195 19.47983704 0.49772045 0.313404988 0.757467302 0.531266121 0.307117626 1.250871125 1.497237066 0.596229655 1.508327021 0.298492183 0.726309876 0.831465004 1.63089249 1.517664024 0.51312864 1.333962683 0.670569533 Cer(d18:2_22:0)+HCOO 0.603058076 0.233772869 0.207486234 0.175363338 0.233252185 0.92203125 0.248530818 0.100580205 0.92165786 0.120015291 0.198910398 0.316708886 0.219867934 0.168148382 0.447089162 0.224012698 0.312952522 1.345999945 0.30831932 0.2662874 0.657846692 0.446424433 0.851786787 Cer(d18:2_23:0)+HCOO 0.062773892 0.021550938 0.024536155 0.030422287 0.033578885 0.217648572 0.051477861 0.013766509 0.157714257 0.016520013 0.029466832 0.043230474 0.062043161 0.020088669 0.052011631 0.018981496 0.038806062 0.240359777 0.058668006 0.050294578 0.102276234 0.060106928 0.080190381 Cer(d18:2_24:1)+HCOO 1.313125918 0.514900456 0.57393999 0.307464391 0.783647991 1.472355197 0.54587319 0.265329424 2.014251847 0.352812782 0.455837016 0.768940965 0.911798584 0.454397781 0.793627994 0.309926618 0.628320429 3.315209421 0.839731749 0.835733484 1.153259838 1.467544501 2.036515909 DG(16:0_16:0)+NH4 13.60932567 15.71077892 22.75509931 15.05716495 32.46855091 71.95037979 46.92989812 25.3414231 6.957297762 22.64678143 22.82091276 31.88620035 43.31461554 24.5678646 32.44922949 76.46174162 26.70195624 3.654180373 231.9840138 23.89697686 14.14065286 23.4197451 5.670636254 DG(16:0_18:1)+NH4 20.24270396 18.39340813 61.73823239 18.62172436 31.06443683 134.8278158 35.87330373 16.85065369 19.2407258 20.86105093 15.93226904 26.78959273 51.03541943 46.44178448 30.89840475 31.99394085 17.83442071 21.18304621 113.99196 20.67471314 22.72295474 36.09805193 18.58546179 DG(16:0_20:4)+NH4 1.252739238 3.596670136 3.903832978 1.667854715 5.064147463 11.13695961 2.306461203 1.167788295 3.13634054 6.816288142 4.403524648 3.881372363 4.007419884 5.019842259 7.541073531 2.321448817 2.967777282 2.109975738 2.379596458 2.2541813 2.785554342 4.02069071 2.219411028 DG(16:1_18:1)+NH4 2.549669927 7.988880377 32.13255791 4.745759965 13.9988596 60.91267162 17.67972316 13.23206844 10.69835712 8.447517077 10.35076264 11.05478417 26.82989935 15.35032949 21.72723757 21.69613637 21.70839371 5.734442284 44.6487443 16.86474968 5.198797703 45.25455895 16.56297654 DG(18:0_16:0)+NH4 23.38706468 29.33783851 44.59869321 26.58448667 73.64417893 110.4162505 84.5263235 47.16935305 11.31647611 50.01847398 37.94808684 61.07259678 79.41537622 46.67504016 72.52620301 153.034881 63.57102117 4.022440632 547.5159463 53.77231055 28.95472648 51.83251456 8.751166663 DG(18:0_18:0)+NH4 15.31177588 19.46725446 27.57428437 18.23952233 46.8610668 82.16566458 61.12278152 27.69672615 6.819843494 32.56965539 24.80591894 40.02271115 51.65525987 30.66443571 51.05778802 118.2885276 39.79780887 3.060656045 432.9112973 36.64076266 20.5284229 29.63613426 4.707953094 DG(18:0_18:1)+NH4 3.978572889 3.70956281 4.368603705 5.126523332 5.735950488 18.83848436 6.735613861 3.314179064 6.159546488 3.507236917 4.943808933 5.086937783 7.099375275 7.537211762 6.268837096 7.483389997 3.913671572 5.298246254 30.47194173 4.152502324 5.683979995 5.15260298 3.069856706 DG(18:0_18:2)+NH4 25.15871488 26.06132826 42.64692561 21.93550695 29.50562613 146.0235202 35.5490292 13.90066259 33.30000567 26.92878851 25.70569265 30.51893925 65.06992427 51.53660029 59.58904323 35.07174842 23.04984222 25.94727399 97.09855983 21.15867415 28.2665585 35.72011302 26.80162999 DG(18:0_20:3)+NH4 1.355515467 1.671175622 0.512708529 2.091252411 0.794508234 2.781638962 1.938071039 1.48912315 4.063828472 2.731935294 1.375110591 2.647362994 1.041319396 1.619872174 2.83259298 2.727517561 0.429992796 2.058819921 5.211382077 1.218762571 1.115780941 1.432161628 0.9541169 DG(18:0_22:5)+NH4 0.771368345 0.808222967 0.117692233 1.301521804 0.238004954 1.161774168 0.948564474 0.352301813 3.402123144 0.540785795 1.677675737 1.098341728 0.118884059 0.547415148 1.509939745 0.103372682 0.059331445 2.080446557 0.315937301 0.943591646 1.125901433 0.348287744 1.259092323 DG(18:1_14:0)+NH4 7.373974412 10.39275506 75.18938781 4.959246512 19.58730897 91.44539499 28.66384356 13.43471042 5.076050177 16.07822772 8.149406825 16.30339913 39.24056174 35.15974357 24.62955344 22.54522432 15.80174836 3.607004942 60.97113244 14.71015468 6.870420373 22.24200199 5.788499222 DG(18:1_18:2)+NH4 9.694443446 19.6944387 31.19180276 13.45860131 22.13374985 101.0598247 24.13606131 8.015032088 16.74128051 18.82878376 11.15137128 19.43515284 37.98311879 25.23899186 53.95115035 12.70577975 22.96546393 15.22077036 34.02334983 15.98197836 12.01979508 35.63978536 19.80603143 DG(18:1_20:4)+NH4 3.412422738 9.333550539 3.801858369 4.351346083 4.642065758 21.00569298 3.601601435 1.651634373 9.563096755 14.65203005 5.504890869 7.426678129 7.130684501 7.097342126 14.75756344 1.432784547 2.704015931 4.678101913 2.065298528 2.991698254 4.285688553 3.850139963 5.069055313 DG(18:2_18:2)+NH4 10.78517425 34.04539009 17.80520596 27.76570727 25.09925895 61.01924252 36.92736143 12.52633736 62.09500795 43.53648774 23.17741388 39.31355265 20.62156133 59.71633565 66.78558758 8.738640134 28.73639074 15.01058575 45.022548 30.39492532 21.75258316 45.67201375 26.56628831 Hex1Cer(d18:0_20:4)+HCOO 5.389430795 4.805699233 6.494585116 6.369928535 6.778598874 4.878627026 6.414083717 5.886801741 7.328999699 3.869104322 7.215559863 6.241843777 6.95747418 7.437737241 8.563985172 0.963247985 4.21756314 6.962993605 3.038303297 4.178110521 11.04574728 4.998383381 2.94106418 Hex1Cer(d18:1_20:4)+HCOO 8.091978981 6.436455326 6.018038422 7.700737451 8.281668031 6.411405529 8.866562183 7.722787479 8.115867621 7.17235977 5.434466885 6.572653215 9.818522912 9.017365578 8.568609727 2.037092679 4.824971744 7.597538744 5.523024676 6.318930063 9.64459338 4.452951751 3.910157244 Hex1Cer(d18:1_22:4)+HCOO 14.15256677 17.62472607 12.6756989 16.63991083 12.91913137 14.95118078 12.18555722 15.54450119 4.323035992 29.32066505 17.34570287 16.68856876 29.62915995 20.51910312 22.29768247 3.080911642 14.8494244 13.86570968 4.923761841 18.06012346 3.630446196 20.35053353 1.895987977 Hex1Cer(d18:1_24:0)+H 0.374160837 0.136610955 0.155747656 0.058713273 0.009352034 0.007029139 0.094785888 0.214918629 0.622110275 0.087526074 0.322250668 0.024691944 0.1061305 0.100077224 0.175598594 0.264726797 0.148096296 0.942456315 0.060360328 0.010213871 0.650246449 0.134871238 0.367193988 Hex1Cer(d18:1_24:1)+H 0.338251323 0.043994238 0.079062877 0.077063424 0.032406757 0.012412852 0.044656907 0.1463199 0.433468231 0.010523777 0.082601715 0.047389696 0.102951087 0.11689919 0.125673357 0.015371428 0.053221873 0.358211616 0.000669762 0.012426853 0.264186869 0.169251269 0.401056975 Hex1Cer(d19:0_20:4)+HCOO 4.505242282 1.474529384 2.032071855 4.213461086 2.688345808 2.990261993 2.667322381 2.228993321 1.576521159 2.49071076 5.796459977 3.597586969 4.313961245 3.05719497 4.950217885 0.767409641 1.970220708 4.969354916 1.725204281 3.906050223 1.534672537 3.815356931 0.72914714 Hex1Cer(d20:0_22:6)+HCOO 0.997502666 1.562860887 0.661490807 1.206669979 1.388152281 0.850456594 2.497482834 0.782987326 0.900496518 2.001607689 1.582869039 2.060323697 2.136539422 1.511268118 3.197450505 0.387416658 2.149527332 1.961438624 0.244679956 1.144294137 0.331891684 3.482935174 0.569826176 Hex1Cer(d41:1)+HCOO 0.078523038 0.002269535 0.004967309 0.040058888 0.00318368 0.001014573 0.012354784 0.016199492 0.231959338 0.007558069 0.077872566 0.006743341 0.012870823 0.017052725 0.011135329 0.001668842 0.003658393 0.195337672 0.000485251 0.012831961 0.231836765 0.022905324 0.262109881 Hex1Cer(d42:1)+HCOO 0.194843123 2.74E-09 0.013509555 0.045173158 0.007970703 0.002572491 0.025807742 0.035991026 0.420108205 0.011867496 0.099229617 0.012619037 0.014647012 0.032454498 0.021676052 1.88E-09 0.007497805 0.337600368 0.003259185 0.019278883 0.328265789 0.031562112 0.740977667 Hex1Cer(t18:0_22:0)+H-H2O 0.3781375 0.213631757 0.107424041 0.175629712 0.228868426 0.032961873 0.088091157 0.238779297 0.754647504 0.111919819 0.376999145 0.059385582 0.091816859 0.196078525 0.275356041 0.248248814 0.038201539 0.678233224 0.302570854 0.093174651 0.81121702 0.260429868 0.508614748 Hex1Cer(t18:0_23:0)+H-H2O 0.180980463 0.088110259 0.091859954 0.072737106 0.046963031 0.010094284 0.036758804 0.072497694 0.216458437 0.066908284 0.090584485 0.086720939 0.012652663 0.093021065 0.040665101 0.099189659 0.082712266 0.376124406 0.110471035 0.087038228 0.207811302 0.119766311 0.16624132 Hex1Cer(t20:0_20:4)+HCOO 12.32731221 2.482238979 10.18528866 8.310570887 4.179204756 10.96349024 3.099312757 3.05343113 0.438450948 2.446032071 16.96811524 7.56891403 17.16639102 6.765483298 12.52706129 1.061358671 7.266079242 6.531077376 13.62652201 2.362962432 0.771929549 9.357367964 0.258401307 Hex1Cer(t20:1_20:4)+HCOO 44.39171677 11.74041445 32.83972628 26.78395919 26.32623938 39.92603941 16.69106295 15.3595173 1.936072146 15.75793239 46.99856425 28.53859831 65.15110641 23.33824052 43.3287848 4.6748766 27.02466427 31.58766994 39.19898987 18.09338818 1.334467695 35.06582447 0.260422156 LPC(14:0)+H 5.736384124 4.227645383 2.071391731 9.786457715 6.584799238 8.386076685 7.583700311 5.037636373 13.16215338 11.61476881 5.332723108 6.516312647 7.455716246 13.64938716 7.90591448 3.674321482 3.07908045 9.160539859 3.480201476 11.1042007 24.64771878 5.252443544 15.4362458 LPC(15:0)+H 1.936169648 2.253774772 0.999664864 5.369264841 3.457002818 6.221896449 3.151689422 3.320804083 6.944611391 4.47791836 2.744290369 3.75561082 3.448238775 3.928544006 3.921410589 1.570990756 1.627666127 4.248310712 1.737875517 4.706881355 12.88202235 1.86968817 4.64532179 LPC(16:0)+H 322.942388 230.8886037 93.80779158 303.5213775 327.2629813 486.0554003 348.3287818 332.4865685 616.106867 435.0452839 290.2236853 326.5984696 207.184197 426.8176671 398.1181879 113.4072944 235.7079841 376.6726707 83.3097378 421.2849947 870.2724712 328.2309286 673.1096056 LPC(16:0e)+H 2.001623407 1.343271583 0.500508238 1.685777081 2.243632687 2.550856206 1.49655674 1.294148919 4.208340479 2.116810218 2.461523627 1.847294963 1.368484457 2.417601472 1.679500764 0.632193953 1.009688432 2.226739265 0.474854046 2.066396645 4.60839851 1.515926323 5.52976491 LPC(16:1)+H 19.43866277 6.928227092 4.025756624 10.16536042 10.75183381 13.1540912 11.22947153 12.86344848 22.41333071 33.59889168 7.452741003 11.65412196 17.27028861 23.2541002 16.60260915 4.574558906 6.844430597 12.34272946 3.949106734 14.141279 43.34700798 11.04340111 37.97354439 LPC(16:1e)+H 8.80131202 5.992383017 6.568946643 13.51345376 7.063817727 25.88527555 7.255933872 6.68206676 6.733957613 10.71149632 15.34135914 12.55357881 7.814781088 5.053120941 15.19635268 3.737914398 8.770364331 8.655940045 6.158789109 7.771254523 7.435094034 11.67137164 6.467325157 LPC(16:2e)+H 2.574340324 1.634016576 0.692482432 2.481187587 2.437641091 3.947546725 2.65244938 2.585258152 4.560336441 3.228370931 2.176868001 2.351266668 1.540795686 3.385322472 2.713960108 0.867546182 1.756067687 2.789658605 0.665054604 3.433516659 6.948583224 2.294209986 5.56334266 LPC(17:1)+H 1.27764352 0.907393157 0.350933312 1.836788365 1.337439356 2.027449991 1.181119264 1.091018745 3.191421886 2.644340361 0.814870314 1.639771367 1.679222835 1.482235766 1.452279881 0.525872651 0.64146465 1.265864593 0.533708735 1.479824257 4.291167807 0.747203616 2.327163792 LPC(18:0)+H 33.26174263 22.0907301 12.37299169 28.70063057 36.66537144 74.33590452 37.68240893 34.25490483 68.60346355 35.74929377 27.35056395 34.78413031 20.46696481 40.69095263 35.70661194 10.38274631 21.96836129 55.80111866 8.921322328 41.05514444 46.5583689 27.4251917 61.18687932 LPC(18:1)+H 509.2464729 320.4125326 125.7745124 430.7825439 318.4722603 444.9212982 419.139223 419.8601072 623.949933 801.2011536 414.3476602 462.220362 328.8992568 535.3032096 465.9580823 169.7999681 300.9239937 293.3614893 111.7221562 561.4040701 930.6227159 374.3288647 540.9247326 LPC(18:1e)+H 1.401757005 0.694098543 0.347961687 0.848815556 1.224427687 1.681225386 1.186042232 1.075988849 2.44950498 1.206290154 1.722046128 1.098591305 0.702431292 1.312606316 1.03233044 0.351909892 0.643761479 1.476792545 0.233949688 0.965393318 3.798901293 0.864385152 3.971598538 LPC(18:2)+H 361.4656039 657.0857142 204.5727644 639.6972973 844.5916256 355.3929267 1036.292521 449.4436817 1072.853361 967.37519 699.8125294 932.9395489 520.0699135 744.1044821 1205.277285 390.6644675 940.7615961 510.3291635 151.6930708 689.0825679 1346.031578 1029.844551 1128.882252 LPC(18:2e)+H 3.010827271 1.080870805 0.77845521 1.936280812 1.613433328 5.276657568 1.996010224 1.175112623 1.202746702 2.130465855 3.65943156 2.59190987 2.663941182 1.890228888 3.367866971 0.717337367 1.895772814 3.024781392 0.960921602 2.179666265 1.333196065 3.124916223 1.599809877 LPC(18:3e)+H 2.781793901 1.68213889 0.64855237 2.484955988 1.575467253 2.384421836 2.282280102 2.549367624 3.158031634 4.202581392 2.190966602 2.408904633 1.741480516 3.09812008 2.449468659 0.876752637 1.544727811 1.508787628 0.555700823 2.841260202 4.993014382 1.945154266 3.198491449 LPC(19:0)+H 12.54068275 8.796332823 5.804071314 4.937278737 7.330775218 3.37456938 8.549771488 7.24793654 10.46687071 9.146539649 6.449717081 6.200209704 5.422280941 9.905372744 7.63990661 1.225368455 5.071124993 12.95979493 1.446716427 8.775789178 8.850449109 6.773858468 11.44012638 LPC(20:1)+H 1.490714203 1.366218532 0.540096753 1.154248707 1.793367559 4.218260112 2.179299794 1.53785712 3.142492463 2.633398548 1.78891945 1.820484789 1.443719224 1.863025707 1.825118866 0.48567386 1.01335323 3.747435975 0.289401652 1.491918417 3.506325666 1.364807065 2.709927552 LPC(20:2)+H 2.184175452 2.01914915 0.960438265 2.051242962 3.041188181 1.882434106 2.87791052 2.243673149 3.940812508 3.775121681 1.943152598 2.709871322 2.337182835 3.172452569 3.371310588 0.942716082 2.349156103 3.844652498 0.596416745 2.193894687 4.928306063 4.163868173 6.082508475 LPC(20:3)+H 39.43222677 30.05988321 13.34329289 53.63096376 53.79899231 21.40937419 32.32776477 37.40339404 71.93621454 45.16512146 29.84704921 48.71848088 35.99249847 74.66101106 39.02185513 18.05055617 34.36353917 37.27168117 22.55993342 34.46963605 78.05004261 31.58918124 58.53040719 LPC(20:4)+H 1076.095572 450.5620024 475.1426683 1046.82994 1077.514698 535.1412189 785.3217608 828.1697522 1232.618922 916.439824 1390.580088 1068.48469 938.2366043 1177.078762 1460.808681 494.2012349 666.37986 780.4075582 571.2905064 1222.78957 2866.353417 1090.662436 1421.2587 LPC(20:5)+H 51.03405444 7.816858727 7.877968623 32.63469858 15.09588885 10.86560769 37.08952399 13.02413917 41.74546371 17.950119 25.64461893 23.0803514 23.97368812 32.66486972 19.44083048 9.427091133 11.94250316 29.20000118 16.99005915 167.4024811 71.05600946 21.63680498 35.76936367 LPC(22:4)+H 12.62202998 10.01478426 7.271302786 15.09016377 19.36662955 6.424263095 13.74957785 14.9463088 24.77040951 18.6048981 23.5729223 20.19433058 13.906823 16.05483752 19.92435353 5.694706834 12.03651323 9.3536556 3.972741871 10.89129879 26.05059625 11.0486146 20.40360232 LPC(22:5)+H 122.7408859 57.14414789 43.93195117 157.7852449 125.8531092 54.34635736 120.3772434 94.99670141 227.7634233 94.16062518 137.6643319 158.0453206 112.2234691 136.3771647 139.0816376 44.26664403 68.18597043 104.0705532 43.76016402 218.8366507 197.6815052 83.89277877 116.8962989 LPC(22:6)+H 191.5068285 31.19289474 25.1622803 101.7633684 56.060598 71.05976054 79.11515438 63.81992585 118.5529714 144.12935 191.5346369 68.45358453 87.31296528 73.04366619 146.7059949 41.64640943 48.16501027 218.0102325 46.98827425 332.3950237 484.0105378 132.2456804 198.4444046 PC(14:0_20:4)+HCOO 41.54415732 1245.368766 209.3778983 97.19317227 1247.483492 1114.402753 233.8036922 110.0792685 45.75225228 584.1968027 74.57509921 412.4894497 451.3247781 635.9984535 458.9870368 384.9564822 388.5284829 33.66630749 1540.313041 359.1727747 41.3519699 205.7885416 15.33659011 PC(15:0_16:0)+HCOO 8.448141704 355.9163585 19.01301068 24.61225533 335.9266097 173.3053621 45.01593996 33.33186026 29.12499624 145.3914538 4.579157605 100.0796761 107.9765346 75.63589335 94.18470097 63.58620712 194.1973396 11.61589954 208.0241965 65.65948882 39.03076539 40.12629658 9.378212562 PC(15:0_18:1)+HCOO 50.24626947 1914.097158 308.3748067 120.2053586 1383.390468 1730.211781 199.3345589 171.4628445 68.17208259 1119.258193 75.21893451 518.2301247 854.5055091 458.1634624 493.2814628 369.6389338 666.0773499 38.57282859 1454.626832 447.4561872 64.81840573 230.5685624 14.40247466 PC(15:0_18:2)+HCOO 11.39161794 1220.233738 162.56517 77.86683396 1133.789796 631.3233101 166.331534 64.52162932 41.15799545 436.8376686 67.11928578 384.6526993 408.9270409 177.112377 445.3628379 253.9155309 894.0036256 24.71309322 770.3905287 218.2587143 27.91788262 220.5612391 11.13004932 PC(15:0_20:4)+HCOO 8.683213923 408.9754752 92.56547701 39.99112532 549.0967281 397.8744012 67.23256308 43.74174653 17.27956142 153.7631092 30.20353251 145.3663439 182.0029107 131.7864239 171.7612114 97.50505789 185.2043271 17.29307073 629.708014 115.1142739 17.42638329 63.8956814 4.491265228 PC(16:0_14:0)+HCOO 110.6883933 3985.491335 788.5306997 278.7324387 4506.496147 2880.249208 528.3011119 363.2538329 123.8058695 2296.197546 268.4753045 1082.247684 2472.012033 1988.419026 1453.118486 902.2697437 1561.652424 130.4886641 3931.812262 1142.779452 168.5273569 943.3669488 52.76715525 PC(16:0_16:0)+HCOO 504.8480941 6947.455983 2458.88028 609.6802506 11000.21646 3861.883135 1160.063445 1059.591139 361.8681133 4745.688085 1261.892525 2374.329659 4663.211004 3321.726686 4215.045787 1282.03247 6471.399809 492.1770129 5341.154281 2544.753162 889.6903742 2759.874135 245.4522561 PC(16:0_16:1)+HCOO 337.4307534 7435.360365 1607.193672 366.5693488 6707.322884 5657.073641 880.6055686 781.7108056 221.8547741 6620.570449 379.9007581 2161.846524 4544.165992 3274.228245 2507.849898 2047.619206 3472.957084 123.6456277 6225.464286 1727.951135 273.2614887 1700.382576 72.16882039 PC(16:0_17:0)+HCOO 4.420146895 89.54876449 30.6379493 13.32076145 137.9755133 75.64644707 14.30476591 15.5422953 8.049908223 55.61865746 14.82748576 44.87148878 83.3247615 35.09552465 49.46417888 9.506242458 62.33354648 11.27876965 63.57416873 33.27819045 12.80549358 28.12085777 3.5606995 PC(16:0_18:1)+HCOO 2991.351666 79127.52312 14942.68362 3782.558434 50909.72781 51670.98643 8016.551986 6439.076588 2222.180185 40078.93047 4755.784571 20308.72771 26994.99253 21339.52546 21796.31474 17431.3221 40141.98816 1249.425184 42139.11261 17325.2026 2990.829271 16168.95063 551.2020685 PC(16:0_18:2)+HCOO 1702.628056 85543.64201 12529.92914 3724.48791 76620.37208 32716.59843 11086.41183 5184.218296 2644.081028 32692.86221 6162.252698 25273.75354 24018.46369 17944.28123 30354.56573 22913.56264 58557.38304 1490.194269 39510.07159 16116.05568 2681.190883 24586.00462 781.4931124 PC(16:0_20:4)+HCOO 1154.440649 37393.4744 8694.866091 2032.823237 42197.3059 24324.25411 5035.41627 3617.105624 1376.692035 13130.48019 3112.777234 11136.15659 13978.1857 13877.40335 14687.74581 9933.012431 21235.49666 896.6193432 35664.16308 9056.862159 1624.59942 8585.779807 428.2361883 PC(16:0_20:5)+HCOO 175.0482382 2848.985533 533.8015693 192.56018 2945.68958 1690.448452 906.3584818 248.0400799 101.1279007 1260.418675 186.1607644 929.2570167 1458.014641 1421.776401 864.2703874 572.7491409 1334.622363 175.5908442 3526.400671 2760.589611 83.09156597 655.1834485 27.01699657 PC(16:0_22:4)+HCOO 23.44826434 960.4749627 217.1665041 42.67482505 1048.266559 451.428489 105.1451071 86.21916669 43.94513842 407.7458679 55.41425225 258.4031439 259.5065654 311.6877197 281.0668569 123.6052476 397.5783231 29.17804934 283.786253 94.9804441 34.59557283 111.8800925 17.38909562 PC(16:0_22:6)+HCOO 368.8062683 6566.13544 1185.285936 357.0607756 5664.643074 5634.860087 1160.961083 622.3813693 207.3138138 4426.038889 667.0247799 1549.628283 2929.585451 2190.639854 2928.653176 1286.968254 3519.425233 414.0852838 4894.390136 3409.840519 371.8230012 2132.768197 106.1089293 PC(16:0e_16:0)+HCOO 14.46054101 285.0261721 55.47884995 19.95174914 306.9933186 97.46314788 25.22267803 31.09083787 16.48949166 158.4524899 38.56243985 75.91900253 116.2591606 134.8840258 98.755156 21.91798424 154.1853016 14.95579873 61.26384369 47.40855146 18.09992147 59.20035644 10.39204945 PC(16:0e_20:4)+HCOO 94.17790615 2129.396534 405.9652121 123.0842646 2091.677415 1648.846363 306.9762604 141.2623016 88.04471446 1211.509915 330.4820065 1001.17521 1236.325911 751.0516149 974.048238 381.6586957 2713.921599 54.08083434 946.356731 439.5321664 90.89891621 622.6370875 32.03821364 PC(16:1_20:4)+HCOO 43.89534481 609.6617017 137.0311673 35.3911119 697.8170736 481.4095951 93.87033841 87.82804664 22.28310547 576.7099393 26.76068519 202.9096168 387.9091998 364.5174141 269.8806742 154.8199851 289.7232275 17.40054729 457.7029089 166.6588159 19.33668137 120.5837945 10.20997395 PC(16:1e_18:1)+HCOO 115.9479617 2161.455363 942.0990275 135.3512096 1756.783761 4021.222546 147.7667138 131.1130057 4.399240016 1427.874596 262.6581466 974.0736565 2495.329967 679.2777016 774.8548665 368.2002147 3264.78741 40.6496408 3105.799036 341.2448423 2.875293102 636.0918725 0.294677969 PC(16:1e_18:2)+HCOO 109.2643519 8908.217474 2079.81861 348.1434816 7938.938231 6026.142103 814.0748872 297.2106591 14.00021096 3757.400474 587.6410641 3234.064178 4703.770744 2017.616524 3347.77745 1357.646639 12461.95863 105.5463063 5748.2162 1059.463735 3.529421975 2593.040018 0.703340949 PC(16:1e_20:4)+HCOO 12.57445299 135.4086963 24.48875444 9.168481349 124.607316 221.7024607 28.80190764 9.242083481 2.379050865 127.9698252 21.51109031 65.89233756 52.27526222 34.02347354 84.8422383 68.62127998 233.9123547 6.718060035 114.762401 110.5741151 5.172852627 80.84908889 0.784489117 PC(16:1e_22:6)+HCOO 81.13802172 848.1593919 475.137629 85.49227808 1001.308198 2798.486974 106.7660404 91.82176796 1.026466579 779.1109002 267.3712903 397.5150185 1155.561073 343.1518566 678.5273758 272.6199859 1181.649222 41.81300885 2822.069761 700.0243308 0.992234971 522.7600485 0.104188975 PC(17:0_18:1)+HCOO 85.93674122 2382.53626 515.9785568 148.9401032 1569.141363 2309.359347 238.4382257 216.7368086 118.835546 1300.441206 115.5206084 787.7023165 1128.43792 541.2141225 593.3031349 336.6921093 806.3920747 69.60474593 1087.54172 570.3674728 86.49724202 377.5030572 22.99647057 PC(17:0_18:2)+HCOO 44.2421502 2878.505777 436.4334639 156.8715095 2594.324855 1660.129872 389.3263137 172.2834132 167.6792051 1304.177473 157.5343291 1099.348091 1069.325801 444.7873916 936.8810929 470.2154802 1606.544965 82.97633112 1092.38256 572.8564328 82.06159519 596.2198807 41.12491552 PC(17:0_20:4)+HCOO 12.29171979 575.6631912 133.2072527 35.16817252 618.9341831 482.314762 74.40021474 54.32436897 37.06472801 193.1835106 30.65361134 215.3473206 184.2942899 149.2891437 173.9814826 110.9374847 232.3620341 20.0827058 426.5863818 146.0386465 27.39169843 78.67742776 6.247031745 PC(18:0_16:0)+HCOO 73.64841649 601.163522 203.9816832 102.1330225 890.8425569 391.2908614 102.4000984 102.871081 86.13735287 363.5150528 141.2330953 258.7185403 460.1788534 337.0743249 274.2492994 84.45677221 414.4017792 94.58595718 242.2903106 209.0048531 95.54471923 236.2385219 48.5211498 PC(18:0_18:1)+HCOO 421.4117647 6401.298262 1988.054361 436.3470081 4458.855215 5047.881103 631.0381262 556.4169527 469.2435455 3116.094806 439.2623348 1873.965676 2832.398527 2149.342469 1590.395698 833.3760175 2531.876522 328.209571 1582.543785 1481.725253 365.3737048 1367.208489 113.2935579 PC(18:0_20:3)+HCOO 37.25238308 1154.768044 230.7118413 52.76500419 939.9073557 525.6295245 105.6553179 102.2460648 44.89344415 407.3136272 45.08166522 258.8831987 332.3597047 376.9163118 218.9519281 143.5270545 686.1077651 41.12163666 326.9835382 136.6725797 44.04623684 150.2455687 10.21036627 PC(18:0_20:4)+HCOO 158.7570718 4805.637038 1765.763892 332.8778332 6562.54003 4245.02741 727.874354 493.4073445 241.8147804 1974.086802 547.542725 1848.252572 1915.092718 1900.944446 1914.175109 1453.916688 2936.653251 148.9015714 3679.63673 1088.745704 339.7758133 992.2670368 52.42210768 PC(18:0_22:4)+HCOO 6.657760079 161.1074145 67.78474687 8.576689367 163.3996506 82.36192986 18.15582528 14.95725184 15.04835655 60.27936822 12.13160574 43.18008746 52.05297072 47.52986342 42.80161171 19.456666 68.62770782 7.64908406 26.83701883 16.18791788 8.99496662 21.3235769 3.622510306 PC(18:0_22:5)+HCOO 14.11371913 491.0790161 169.8350155 24.20062793 568.3713341 316.0691558 77.6395838 41.19951168 23.20609137 149.943204 29.23869028 166.4069763 199.8923843 148.1166857 141.9609832 120.7452129 221.7888072 12.14405214 250.1446919 119.5552299 20.21644062 69.50718591 3.379621358 PC(18:0e_20:4)+HCOO 17.01988304 289.5070662 77.68404389 26.09007214 310.8152832 253.2909711 31.1768595 22.19891894 28.19546552 122.6927266 56.50454812 114.9374968 107.2415656 123.996151 98.63913859 34.85881448 154.7935007 16.06089624 82.70284745 77.61273124 19.97447618 86.8781409 8.42424414 PC(18:1_18:2)+HCOO 243.5615757 9722.462452 1380.559077 360.7117617 8410.541568 4928.374096 1475.474054 658.3975121 270.093476 6073.136597 557.8946851 2829.010132 4559.896007 2030.751769 3822.55328 3361.121935 9702.163522 148.7701203 2478.343366 1828.745717 411.2966315 2479.460216 112.0216739 PC(18:1_20:4)+HCOO 36.73241895 1116.165635 231.3599175 47.56139201 1099.832984 526.9799165 189.3726964 90.75409176 41.95542528 479.5610252 59.08309971 344.4334871 425.2342111 499.3885776 367.6610175 252.3862397 406.9158472 21.79974415 588.922175 373.1297043 43.06601831 141.4476893 10.92317207 PC(18:1_22:5)+HCOO 16.2796952 404.0571053 104.6332372 18.28142146 440.6705469 274.9044861 65.06276009 40.91799998 14.60924487 163.1785176 20.30960028 113.0661252 214.1804226 139.1395382 140.4703972 124.3969348 229.2108751 8.486574746 254.9208639 102.024676 14.942032 58.53601892 2.733362601 PC(18:1_22:6)+HCOO 49.97424293 651.7296856 120.5616197 23.09621352 433.1676704 898.3121799 104.6098613 53.99385656 14.57978507 696.4821643 55.28362467 124.5506569 385.640115 205.5075348 232.8902999 158.7265388 379.854217 28.7054533 303.4736313 286.7778548 43.81021792 162.7878595 5.664577025 PC(18:1e_16:0)+HCOO 41.32200492 875.2043237 211.9238013 35.14562584 804.5455205 623.4979208 77.28618072 74.62413149 39.68143409 459.6838307 90.24826884 216.2896199 304.0949375 357.8464786 205.4333017 79.59602217 378.2676133 28.12039111 328.2233087 128.3090302 38.1658251 140.4363085 16.7826484 PC(18:1e_18:2)+HCOO 30.97130636 284.7126741 118.1074238 12.71564716 211.0194792 602.2557494 25.76115752 17.23466171 0.84422071 195.4765739 36.03880465 130.2380896 428.6935144 92.41340574 113.0739866 48.39460347 464.4670095 6.876857401 289.5981765 47.55385941 0.87078787 122.878433 0.027498683 PC(18:1e_20:4)+HCOO 62.70562025 1046.272615 278.1641789 70.63082395 1491.101557 809.0500212 149.4440367 134.4963778 76.19667404 550.9188513 223.5166119 415.2466494 509.7876213 428.0788745 399.6313169 201.6875019 608.1332776 43.40438077 557.1542074 309.0625291 81.30019175 286.9386216 38.52918343 PC(18:2e_20:4)+HCOO 235.8954371 2830.621691 1721.660256 234.0362085 4411.868893 5927.12952 386.1735556 286.9269047 11.52746138 1451.126683 678.332831 1768.298451 4206.833644 1306.026027 2060.434302 805.9234196 4004.881387 107.5472764 6287.730153 992.2211581 7.882367449 1691.735674 0.816785552 PC(18:2e_22:5)+HCOO 17.02085933 181.9597527 117.8058129 14.41065918 272.0195492 404.1396159 32.09994069 17.0367721 1.439222048 87.84486153 35.03814746 132.5079397 317.5660363 71.57626855 116.8647769 52.66670667 268.0204661 7.708886247 375.0261857 77.81671021 1.084091709 97.83649422 0.773675739 PC(18:2e_22:6)+HCOO 32.17729605 103.9479016 83.06463312 13.04229682 135.392029 648.5154646 21.02694455 14.56306318 0 167.8016104 60.12545906 68.54785465 322.4636178 50.55848647 118.8659626 58.81281488 218.4152508 10.4259462 528.5499155 121.8230408 0.143280158 128.0652621 0.00701646 PC(19:0_18:1)+HCOO 50.97736259 1231.618773 217.40083 68.61528217 817.7008179 941.1570836 162.0462338 54.85236637 15.75323535 681.1566694 137.7947951 505.717923 546.146854 304.5728836 536.2441199 190.4433584 992.7513436 32.6622701 212.806158 220.3468679 12.28310282 455.6189362 7.843291995 PC(19:0_18:2)+HCOO 29.38000489 1117.600071 162.9300653 80.0643023 1189.708611 616.925476 119.0943859 82.64245181 15.11634015 531.4592433 73.2293248 424.4677652 432.8837998 460.5141968 369.6906294 170.9866473 682.0315281 29.45822443 394.3376265 201.815036 7.152549163 253.1471641 4.959430622 PC(19:0_22:5)+HCOO 8.95833323 144.78739 36.96661225 10.72111708 138.0722211 147.8229739 29.45327132 14.85521365 3.92784363 71.56865176 21.38323087 82.34182134 104.5314716 44.9518536 74.58149677 40.50181491 99.6267002 6.136910595 74.49218568 88.01779403 2.293466375 61.14729092 1.262855739 PC(19:0_22:6)+HCOO 17.47526768 105.0300864 23.39391535 11.29431959 115.4709189 271.7678044 27.31472382 13.60757384 2.292275193 160.1261496 48.10102264 62.80315557 126.1976363 42.9932699 122.5037238 55.4148249 112.6729398 14.05766836 106.0647194 145.3544875 4.311664818 116.1394069 0.812455203 PC(20:1_18:2)+HCOO 26.05835319 729.5402036 222.7514309 40.74889679 870.4763766 570.8023808 127.0247895 71.81164414 33.84046559 338.7727123 72.51136068 270.3794739 275.5153722 221.806571 280.0307201 173.3764444 546.7633375 26.48051165 376.6850026 135.6404866 46.15038971 178.3693511 9.131461521 SM(d20:1_16:0)+H 131.2819651 87.03262217 62.73822402 186.052409 83.35067318 42.29668445 82.68131687 126.2708516 193.7938278 116.510979 114.8348417 89.23838565 206.093872 153.1884501 119.1734899 5.364133992 76.57955344 180.8703903 17.19589463 85.27157578 153.9417202 148.5283343 197.9109456 SM(d32:1)+H 7.987597418 4.257151178 3.11901635 8.467170779 7.34880793 4.279039392 6.761922171 6.259121124 5.47751755 6.692736727 4.726912559 6.042734663 8.854942503 9.227120465 9.263195491 2.051518731 4.586694591 22.39116938 4.639814212 5.911922493 6.325973167 5.337100671 6.073326865 SM(d32:4)+H 12.18711303 10.50760792 7.893586372 8.442407924 10.62339891 7.7338497 7.817636524 11.91886901 8.541007308 9.250169157 10.79524791 9.285033528 9.583303885 8.677440688 9.082336287 10.2970674 14.52445087 4.516897289 10.37003071 8.783113348 13.94709311 9.863494103 7.459968286 SM(d34:0)+H 17.11893739 10.96259785 12.96610477 15.38547984 19.02458113 7.627991574 11.98176856 40.68148198 23.36431301 22.34042929 23.44616904 14.16586336 19.32179275 23.780986 17.60196076 0.660083347 14.61935321 17.93062975 3.30396063 9.68300181 22.65882452 15.08295307 29.59003142 SM(d34:1)+H 204.3128276 164.6204629 153.2998217 207.6848287 266.6165642 101.5146968 192.1521373 250.608527 229.1575074 216.0217503 238.2148719 215.0049821 248.3689184 299.0838914 266.2290886 17.95513091 203.1693839 205.4173817 62.72727088 142.5881718 234.4655578 219.2017539 229.8565554 SM(d34:2)+H 7.345402563 6.998786595 5.925506648 8.969555143 12.28818616 4.87958196 7.868799406 10.41368288 8.091333214 9.539125277 9.779135737 8.825541654 11.28895128 9.975847476 12.88596817 2.067474082 6.391094022 23.55352276 4.4680808 7.456150259 8.480304385 8.611518584 10.0631111 SM(d35:1)+H 7.289768512 6.611110467 5.625710296 14.42701758 8.415662465 8.548582862 8.71273993 10.07389963 15.09556646 8.00393448 7.977496109 9.779026328 17.5233095 8.435140965 10.63464642 0.639918177 6.672911137 19.65012197 2.474642153 7.471162258 10.2610053 7.60690083 10.10691565 SM(d36:2)+H 36.20814673 26.54011062 24.13744237 50.2508511 27.26079666 28.00948479 27.34187204 42.12702092 36.51801975 32.95338846 32.40554623 29.96491392 60.4141099 38.29477925 45.10336761 2.79660125 23.86803013 32.40714697 8.734300551 33.52816806 32.77752476 37.51022285 38.73228046 SM(d37:1)+H 1.353520989 0.99338408 0.67057641 2.946949334 0.911525903 2.294222504 1.485169917 1.71161102 6.691825714 1.094225284 1.248322672 1.431961909 1.40082219 1.229703868 1.509903876 0.137837663 0.654888475 14.8735491 0.438850412 0.997659644 3.818473627 1.222105603 4.56759763 SM(d37:2)+H 0.999172164 1.485493249 1.881407535 2.316691621 1.957872476 1.60786341 1.254624004 0.865880901 0.993557061 1.345639584 2.150943798 2.210214781 4.161235531 1.379251055 2.43172774 0.105034657 4.318207848 2.460808426 0.503130664 0.759178933 0.481196524 2.631698895 0.878969646 SM(d38:1)+H 23.68141833 8.980821944 8.745066288 23.80691882 6.577170353 3.838860816 9.772903231 17.04157342 53.82152336 9.595722827 16.07850467 7.768888646 11.45330951 15.93646632 13.71344506 1.151908754 7.94595451 134.1124084 1.593007824 6.875571958 36.95307401 12.0628967 50.95977732 SM(d38:2)+H 11.66560764 8.84139027 11.14582819 17.45217288 5.440023891 6.041686639 6.800393141 10.77360173 26.82878244 7.573938946 12.74325808 7.454228918 8.361707277 11.01035712 13.00990128 0.635210105 8.457133463 28.76593429 1.36474453 8.088115212 18.40206206 8.834136347 20.89949567 SM(d39:1)+H 2.377728567 0.874849589 0.910166546 3.314239617 0.730248034 0.56548355 1.280365416 1.419579485 5.819117039 0.837917177 1.315330635 0.769365844 1.278737852 1.1782723 1.848271087 0.240266218 0.908401039 32.96297238 0.308835554 0.788948707 6.834670746 1.187108598 3.97377675 SM(d40:1)+H 41.70816536 6.931997868 7.1982335 27.11294702 7.011582388 2.981409526 10.21755151 26.46896354 78.79042744 6.213067604 17.04380123 4.997929371 6.627920058 12.23947047 14.93212167 1.712905118 6.261081334 270.022772 1.714816883 4.932715082 72.61958962 13.49858294 99.73972128 SM(d40:2)+H 20.76576668 8.498464775 11.23862075 14.81322369 7.102235401 4.497220097 6.988153762 10.79890177 31.92873641 7.212750061 9.415177122 5.508473947 10.46786001 10.75993148 15.25617344 1.244293802 7.023300046 151.7404616 1.547848698 6.409681118 30.16524336 10.23554308 40.26112213 SM(d41:1)+H 6.098211107 1.33132847 1.39835676 8.667007369 1.491970491 0.886626278 2.260385793 4.458546737 14.37514271 1.403361223 3.183173986 0.902845354 1.812665579 2.516901056 2.259741449 0.484581502 1.120194253 110.1586082 0.572435324 1.227097626 16.49322442 3.150820977 11.74608659 SM(d41:2)+H 5.697902611 2.630428896 3.518989473 6.673493613 2.555018272 1.690411535 2.279368212 2.951638972 12.14309898 2.420035263 2.829723739 1.921617329 4.941681384 3.338654247 3.434626851 0.483409188 2.01596535 75.55878136 0.765815283 2.486724407 12.02478417 3.594909654 8.166954889 SM(d42:1)+H 17.77989442 1.714105308 1.828941858 8.369038179 2.015772784 0.874916415 3.304555921 8.953185708 23.08767124 1.676937543 5.556534772 1.145486226 1.768401956 4.181110059 3.753226399 0.706916981 1.466057184 114.7589398 0.604101745 1.7034142 30.64155884 4.742050568 25.35256558 SM(d42:2)+H 78.85592164 21.04381107 29.4783606 37.61737034 23.60220297 10.82794996 18.42541035 30.08303208 175.598037 22.63511227 30.66574421 16.37802759 34.49647578 39.50776842 18.67392868 2.186194145 17.00928381 600.421188 3.491865036 16.17692068 113.1502165 47.03423756 160.2958663 SM(d42:3)+H 26.9327467 10.67459393 19.61078013 15.81668772 12.78955662 5.691983443 8.947897422 20.05601008 46.8368382 13.08484451 13.14264877 7.998137896 19.45918661 17.07162922 13.87883249 1.032085257 10.29376163 195.8514604 1.965208901 9.554871789 29.19060708 21.47681098 74.19856874 SM(d42:4)+H 3.792426966 2.030496125 3.748923407 4.061048717 2.874318878 1.066700551 1.843088272 4.797217204 8.89560146 2.851025763 2.346294936 1.696068544 4.030780549 3.242160072 3.239814966 0.139025543 2.315475759 12.72954306 0.259401478 1.693687734 4.303849508 4.38557592 12.50344244 SM(d43:2)+H 1.183566565 0.429938215 0.589278292 1.334071858 0.521031934 0.504350272 0.535369666 0.533141777 3.954205897 0.494584626 0.676964013 0.472080196 0.934774131 0.780462641 0.504434557 0.090259043 0.283120626 16.94994733 0.120740126 0.521542772 3.67969634 0.849040933 2.525360585 SM(d43:4)+H 1.753293647 0.339159687 0.368069275 2.252911425 0.39329409 0.210934069 0.557102939 1.20985015 3.811086087 0.388146528 0.814767921 0.238122759 0.509961711 0.682951801 0.591848059 0.107687206 0.314879331 12.16688418 0.144506047 0.326279021 4.770690772 0.839107584 3.448428653 SM(d43:5)+H 1.349670724 0.56576865 0.745779287 1.464943938 0.57526158 0.350802817 0.481252987 0.726314726 2.559186562 0.546877464 0.616074021 0.412041255 1.136833751 0.771032002 0.763006365 0.094350258 0.493606985 12.24776492 0.168663649 0.554892193 3.236787647 0.785230129 1.848634333 SM(d44:4)+H 5.001901348 0.452948656 0.475958407 2.173746226 0.504031057 0.198819401 0.819671126 2.459648262 5.780996262 0.431758198 1.418889517 0.281004879 0.450855747 1.079838459 0.943892693 0.174350229 0.39728039 14.21854776 0.139459088 0.438239691 8.929898986 1.195620831 6.739355227 SM(d44:5)+H 28.04161026 4.78742647 6.684474351 9.39050044 5.580566133 2.337685247 4.190517552 7.781939219 44.08385631 5.531752054 7.257300811 3.774956597 8.282606358 9.662398802 5.31157856 0.625273617 4.330724482 21.33200107 0.83549184 3.900191317 36.50432344 11.13232015 26.33194639 SM(d44:6)+H 7.513090726 2.21989919 4.246455403 3.878456264 2.735658579 1.19849552 1.866340108 5.091701734 11.03929725 2.792083821 2.976952484 1.742014204 4.328211788 3.818946135 3.052962307 0.214329017 2.47377638 7.062509722 0.419165054 2.068528464 8.545560331 4.703627885 12.05239988 SM(t42:1)+H 1.312078415 0.445651983 0.676129921 0.780543882 0.457770539 0.312961763 0.406384949 0.511499086 2.832794818 0.479307787 0.513419889 0.385288373 0.78479624 0.854079853 0.56822467 0.047142117 0.33001921 7.536696124 0.088318517 0.342117581 1.895758484 0.92105811 1.994857679 TG(15:0_14:0_16:0)+NH4 58.74556772 59.03330723 49.04156243 43.85751644 56.64100831 48.24278559 56.03441232 45.08960037 55.53644149 53.20409789 55.24297785 48.31820006 54.06803587 46.25594768 59.63352693 56.98401781 56.76209274 41.9676641 66.43777859 48.94155298 68.59770542 54.44728458 45.53885856 TG(15:0_14:0_16:1)+NH4 26.50791727 25.25615589 20.21691788 20.32038778 22.94789049 21.76440244 25.10463882 18.98918425 24.1520172 21.96176277 24.15669595 22.38680853 22.37476882 19.54923652 25.98039129 24.12401772 24.43557459 16.94189465 28.62825088 19.17708148 31.80667776 21.14714601 18.1370987 TG(15:0_16:0_16:0)+NH4 60.6807988 59.04036212 49.27289291 43.9943315 54.68084426 48.18757309 58.93388619 45.3183337 55.66956631 52.10448641 55.30535759 49.66602981 53.94962153 45.89599834 58.10214804 57.50723657 59.32413891 66.5412075 69.34985666 47.81398663 66.2669126 53.7345961 44.63653999 TG(15:0_16:0_16:1)+NH4 79.75467084 68.80762532 59.71173114 52.81026768 70.19995047 56.75090686 66.7340764 55.7421222 65.13432465 58.4151644 70.38242076 62.3519162 62.51795448 51.75217728 66.32014233 67.68671811 66.66409693 58.32812725 79.09015094 58.46704812 84.7227956 64.84335183 53.55911288 TG(15:0_16:1_16:1)+NH4 36.36073945 32.4000495 26.76468527 25.56805972 30.67420352 29.38417044 31.47084234 25.47236474 30.01934122 28.02772933 30.27400647 27.66781275 29.76579519 24.17959546 30.66335589 33.19250962 32.48824529 22.9955677 38.35235168 26.28982115 38.04941101 28.36708913 23.30561512 TG(15:0_16:1_18:1)+NH4 106.6608338 106.2196515 88.39989606 79.36081682 102.4920045 86.38610583 101.9521915 82.19066149 101.7164317 96.63282849 98.56134036 87.43600827 98.68993544 83.53735141 108.5063559 101.7804923 101.3336747 87.14136853 118.4444745 88.53731469 123.909384 98.82321894 84.59770757 TG(16:0_14:0_14:0)+NH4 32.03542603 31.34680476 26.10242434 22.8263826 29.9635874 25.2572112 29.63657155 24.86597282 29.55375007 28.0129793 28.74339326 25.4524204 28.4990109 24.32126366 31.55595392 30.27593753 30.0413471 23.79736314 35.006952 25.86286474 36.85799565 28.8690668 24.26541912 TG(16:0_14:0_16:0)+NH4 57.18252475 55.18279506 46.38816896 42.1915522 52.27542791 44.07918494 53.39150402 41.73786404 52.72664688 48.59123759 52.57320545 46.16406672 51.49945181 43.68784135 55.68441897 52.69200234 52.42039664 48.63608172 61.87580627 46.62566181 64.14167857 52.66031697 44.95735158 TG(16:0_14:0_16:1)+NH4 96.86945536 93.18409175 78.85416186 70.38930055 88.465958 76.01239852 90.43125398 72.8994829 91.67223879 83.41785845 88.51964398 77.82429847 86.850304 75.37220889 94.22053763 91.71463429 91.37702512 87.30730759 102.1042055 76.89899503 110.351003 86.12752921 75.12298156 TG(16:0_16:0_16:0)+NH4 93.50627357 114.2877459 94.25350156 58.56776118 81.15989356 97.6925024 101.4335358 62.58945219 76.57113396 74.12153803 98.42694846 83.23031359 93.38289116 90.22772413 112.8009593 112.7399611 116.0225572 93.50932606 84.02446475 88.56453048 119.0577473 92.19842882 95.54735421 TG(16:0_16:0_16:1)+NH4 105.0065508 108.2476733 85.61044803 79.23324683 95.58939464 84.57845822 97.38439161 82.6460871 111.2676312 95.2492886 99.73832334 83.20395267 101.3707658 88.25685844 102.7188491 96.58376651 102.3084441 176.9647063 125.3164119 83.87893646 127.5440811 103.902751 102.647373 TG(16:0_16:0_17:0)+NH4 53.10215197 51.47264483 46.478486 29.73418682 48.33461144 36.79089184 40.92266215 33.77547256 55.50309396 47.98751839 50.27989638 34.33909288 39.81432491 43.4628916 42.61246837 34.51045954 53.58067519 42.1379841 53.96461405 35.0896777 60.51666517 37.39691359 46.21123055 TG(16:0_16:0_18:1)+NH4 105.4287966 94.71151416 81.26098312 93.15986184 112.2352823 95.789812 86.15509865 95.35020778 136.2173648 78.43758274 113.0006803 89.98672297 102.3224423 86.50000401 91.44467321 85.67639415 83.89877621 375.8787875 97.86600068 92.05693881 124.5957497 113.4122455 133.0681631 TG(16:0_16:1_17:0)+NH4 84.26055468 94.12646454 64.99565124 59.46557781 74.28418362 66.91731396 77.0622278 61.15990412 75.39898121 71.34965127 78.13052137 66.67133456 71.10357566 59.83746206 80.56900928 81.36390177 76.279451 82.21222824 93.17582328 64.22799253 99.72068957 71.26073701 66.17519532 TG(16:0_16:1_18:1)+NH4 116.6825959 98.57753266 92.63656951 83.00914621 89.80968325 76.98464696 102.092843 81.36399613 129.6720787 92.96247549 96.87540264 85.97643706 105.3146768 93.97366291 101.8298879 89.53773606 89.49441931 340.2272644 106.4852951 85.67491337 130.9972522 102.1115108 138.5824078 TG(16:0_16:1_24:0)+NH4 19.32216371 15.96318019 13.72183901 13.13852786 15.31310709 13.33527188 15.62638884 11.3754852 15.7526948 14.36319533 14.31363992 13.26037284 14.63205887 12.17339258 16.46425646 15.49917939 15.77624821 10.98065826 17.13175833 12.90441851 20.97395937 14.39150651 12.40649061 TG(16:0_17:0_18:1)+NH4 48.90427352 47.17448719 40.94930473 28.57204349 34.1788252 28.91331142 45.82645891 34.93506897 38.8092193 44.19727495 31.16746578 31.24472728 43.20986661 37.42480222 43.06426491 45.98219031 34.26383397 54.13331489 50.59429661 30.62528196 53.32951948 44.56486373 30.95985611 TG(16:0_17:1_18:1)+NH4 51.95166263 51.10199435 42.14917987 37.82151783 46.46872255 38.83771893 45.88997923 38.0812566 51.38102264 46.24977566 44.09461606 40.33970954 47.71851412 40.70210956 50.50615633 45.73020749 46.57058744 78.89739589 54.89200936 41.44610232 56.53696942 45.0812976 65.94870212 TG(16:0_18:1_18:1)+NH4 135.4340923 69.79051018 73.46583611 71.75921532 89.00128224 74.41136134 94.42812937 60.94320209 154.8192678 82.66328817 98.96530393 77.64868113 177.5654068 97.49557354 75.89639594 71.88722345 68.34014632 780.7213888 78.04843262 72.04388034 119.6174147 84.48462085 145.0188637 TG(16:0_18:1_20:4)+NH4 17.56844766 12.56962734 11.64170716 11.91589244 11.89835732 9.8933096 12.55562543 10.01309871 23.09438959 11.09695628 13.05648324 10.31030442 14.14471403 11.46925523 13.41365717 12.04003919 12.68558187 165.0406619 13.37437638 10.3606842 19.26317727 13.98433622 41.1959209 TG(16:0_18:2_18:2)+NH4 12.10976909 7.829067746 16.96115692 8.189440594 15.93098582 6.515360335 8.763611253 7.669686409 27.04708092 6.354494708 16.66085561 6.61814578 11.11701889 9.190097226 9.011169844 17.94552543 7.9653717 129.8925164 7.594183886 6.615359778 25.84835432 10.93484139 54.57935375 TG(16:1_14:0_14:0)+NH4 14.82170532 13.95735115 11.09223499 10.37847789 12.79247604 7.352626311 12.93989917 11.09968436 14.36753547 12.48950925 12.31394733 11.24310859 12.25095602 7.664943597 13.48060795 13.02723028 12.97472212 17.91965188 14.55871913 11.46557144 16.4547535 11.82363856 11.93302933 TG(16:1_14:0_16:1)+NH4 25.01386073 20.62024946 17.8433387 17.0311262 19.44291284 17.74776743 20.83548878 17.09527914 21.21119957 12.78173067 21.16903186 17.61095858 18.77474019 17.34252154 23.12017902 22.51269462 20.29051734 12.84029149 24.41796251 17.9387161 28.66407102 17.94402194 18.21095641 TG(16:1_14:0_18:1)+NH4 78.67711769 70.47243205 62.60959029 53.21162097 67.52012117 56.13235929 70.38614671 57.08313548 71.63848205 64.6335077 66.30607853 59.22632748 65.76185979 58.69316014 70.05521322 67.85181909 70.19022985 101.4287276 75.0830561 56.79689325 86.48156332 65.7331737 69.21080075 TG(16:1_16:1_16:1)+NH4 19.66582107 17.29242379 14.94235728 13.16777785 16.06413866 14.0412343 16.85350189 13.62736216 18.63462516 15.35329703 16.30770628 14.30505976 16.00515092 13.87135768 17.35714072 16.66217802 16.69656524 29.57263815 18.79262926 14.0694416 21.67863933 15.89968472 18.79781645 TG(16:1_16:1_17:1)+NH4 17.47994584 17.91007935 14.29698311 12.63600366 16.72263771 13.63849477 15.59566056 13.42141675 16.36085257 15.35393382 15.78776386 13.69617784 16.14542733 13.2056123 17.58049025 18.52421692 16.33807103 15.33937786 18.48706416 14.35582214 20.26202382 16.19019648 14.35599523 TG(16:1_16:1_18:1)+NH4 46.42143889 35.8030304 35.04432024 33.84875432 36.48967766 30.09289468 36.46694492 30.72965281 44.38997487 35.70724855 35.26625631 30.74770636 39.41449639 32.11471836 41.49481966 34.33016361 36.77171622 97.24477121 40.51667625 31.77602718 49.15723928 34.8698272 50.334688 TG(16:1_17:1_18:1)+NH4 27.22872631 29.11162868 20.24803462 19.96289526 25.27906384 20.07228275 25.06208783 19.5901678 25.54583006 23.04638026 24.8163107 24.71947257 23.02229517 19.66749769 25.17449652 23.47268569 24.48188975 35.07093971 33.14812254 21.53282904 33.81913388 23.46110104 22.60333486 TG(16:1_18:1_18:1)+NH4 69.28293706 49.64890533 48.58897259 46.81723224 45.77545007 40.75765065 51.32830796 40.25342755 83.82399067 42.82112867 46.67582335 39.84719764 66.78970094 53.24970378 52.1656388 55.51961135 55.15615277 480.2618763 54.8420778 38.48896999 74.17946606 57.18088334 147.0793411 TG(17:0_18:1_18:1)+NH4 25.32593762 19.36288645 16.31796091 14.76387979 24.54062987 19.40364423 28.61398141 13.75442789 21.65605219 17.44382241 22.67710817 16.13985913 19.63766924 20.97795657 15.41268813 19.87375687 17.19280594 43.60613655 23.09011219 23.41227432 26.97101803 23.84161879 27.66864853 TG(18:0_16:0_16:0)+NH4 50.21404058 44.19059897 44.8251868 25.55197703 44.22404144 29.39773165 46.23103874 39.24778784 48.75543333 43.26501526 38.71053566 41.09676365 49.1336108 41.04575926 48.203358 43.02705188 51.08562646 40.40474409 54.11166854 42.36674033 53.55155246 46.33992856 41.38013859 TG(18:0_16:0_18:0)+NH4 21.45362051 23.70671162 18.93834447 16.1185189 21.79853285 17.8130363 21.16907846 18.07213686 21.77711845 20.99768754 20.04247947 18.15562945 21.41611355 18.71239654 23.24228742 21.94682464 21.56211924 14.99750347 23.82745874 19.3135564 24.39307171 21.99397027 17.99262668 TG(18:0_16:0_18:1)+NH4 43.00731942 44.87970842 29.93067238 36.0357196 45.39575742 27.90205379 70.4184654 38.65865059 55.90371531 66.18816753 45.35956933 37.4547732 45.14679882 49.5534392 48.2447212 37.40367091 42.87335379 125.7895816 34.9116611 27.71807272 53.21438149 42.20463884 44.49593679 TG(18:0_18:0_18:0)+NH4 16.9102068 15.27082994 13.43516936 12.14561922 15.75993458 13.32678857 15.29478055 11.23534149 16.1950342 14.47026915 15.40381485 12.56594686 14.2759619 13.0002523 17.3387071 15.80044403 15.41633954 11.06362071 17.50744722 14.12102767 18.35419447 14.64518097 13.66765081 TG(18:0_18:0_18:1)+NH4 18.96411628 15.23827315 13.13870091 13.76177312 13.0249376 15.77071667 19.17035928 14.35855572 20.3682327 17.45192061 19.05724892 12.56499686 17.57858399 15.5094017 16.34669199 19.35156417 17.29938974 22.04391629 18.29205435 16.23610955 21.85935781 16.19078028 13.95725659 TG(18:0_18:1_18:1)+NH4 36.13599778 26.68903023 21.17639321 28.08659344 28.40158988 25.0058107 26.32123978 24.30644612 50.54354768 19.53019635 28.07470693 26.08852958 43.74487948 31.03397401 36.19247131 29.93309101 31.30479396 170.2809797 28.62296278 56.82411355 38.80558866 26.25246283 37.46970793 TG(18:1_17:1_18:1)+NH4 21.50380201 16.97666996 16.16300362 11.9859505 14.39566714 12.15550889 14.9210553 11.84911518 23.75857967 18.29581522 20.79163881 17.715125 21.09570205 18.21152244 19.83006812 18.41254145 18.50397403 39.55685249 25.24672547 12.41974631 17.56970813 21.11141832 21.31051012 TG(18:1_18:1_18:1)+NH4 100.8577656 46.58636098 47.91029129 49.23120145 42.89623037 39.56303929 59.93694557 36.11652423 94.43788314 42.09859139 52.89208587 39.27271176 67.31890282 54.48659286 48.82149383 51.54201743 55.65170895 589.4067337 59.2677296 37.78770749 99.22015924 44.39136326 89.77398534 TG(18:1_18:1_18:2)+NH4 68.33227203 41.31847357 43.21848092 45.06786687 39.60972476 33.05392757 40.44114573 32.53368857 103.4004602 38.21999784 47.10468021 35.22348932 58.76755036 45.53424905 47.29485174 40.202012 41.85685949 962.4224952 43.11520641 35.23693977 73.79924828 48.11018514 164.4521386 TG(18:1_18:2_18:2)+NH4 11.23629372 9.585290725 7.767155536 7.835431528 8.54363573 6.144829742 8.654368313 7.217432227 15.38913633 9.459582183 8.982373391 9.039670332 9.394285244 7.463384308 9.53262305 8.474131016 9.195302899 123.4942785 9.013408984 6.863137513 12.83615526 10.2893162 32.48410109 TG(20:0_18:1_18:1)+NH4 12.36144752 12.65618533 9.354993366 8.327028015 10.63109657 9.504365937 9.535591024 9.250570309 10.71033772 8.374306192 8.919670757 8.273206495 11.69643488 7.475862836 11.79524964 14.41112105 10.37946457 13.08925603 13.12160578 9.704812319 13.25353104 8.484656132 9.685528622 TG(25:0_14:0_16:0)+NH4 15.43514602 12.10116404 11.23986431 10.83993435 14.09832794 7.21645482 10.93435179 9.370373526 11.94659573 10.56520244 10.9172267 8.94537992 11.30044082 10.49944662 14.12341248 12.35037588 11.30566294 9.10045026 14.30540659 11.22304535 13.80108728 12.64940893 10.61532384 TG(25:0_15:0_16:0)+NH4 13.94828947 12.40500248 12.03978575 11.83557516 11.28823834 10.74771564 12.03093244 9.712675837 11.32048944 12.01413464 12.55156299 10.73489226 11.03673894 9.518392494 12.25268121 12.38180939 12.02831569 8.216359208 14.83999074 10.29152836 18.47414316 10.85525108 8.456605025 TG(25:0_16:0_16:1)+NH4 13.0843907 11.64200806 9.772334279 8.844108153 11.08671872 9.492775964 10.87338383 8.244197831 11.20849954 10.37639846 10.52319478 9.821252342 10.65065293 9.018686882 11.54020092 11.80325689 10.87085291 8.074599035 13.50677657 9.391778204 15.39338123 10.97867676 9.55067688 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name AcCa(10:0)+H AcCa(10:1)+H AcCa(12:0)+H AcCa(12:1)+H AcCa(13:0)+H AcCa(14:0)+H AcCa(14:2)+H AcCa(16:0)+H AcCa(16:1)+H AcCa(17:0)+H AcCa(18:0)+H AcCa(18:1)+H AcCa(18:2)+H AcCa(18:3)+H AcCa(19:0)+H AcCa(19:1)+H AcCa(20:0)+H AcCa(20:1)+H AcCa(20:2)+H AcCa(20:4)+H AcCa(21:0)+H AcCa(21:1)+H AcCa(22:1)+H AcCa(22:2)+H AcCa(22:4)+H AcCa(6:0)+H AcCa(8:0)+H AcCa(9:0)+H Cer(d18:1_12:0)+HCOO Cer(d18:1_16:0)+HCOO Cer(d18:1_18:0)+HCOO Cer(d18:1_22:0)+HCOO Cer(d18:1_23:0)+HCOO Cer(d18:1_24:0)+HCOO Cer(d18:1_24:1)+HCOO Cer(d18:2_18:0)+HCOO Cer(d18:2_22:0)+HCOO Cer(d18:2_23:0)+HCOO Cer(d18:2_24:1)+HCOO DG(16:0_16:0)+NH4 DG(16:0_18:1)+NH4 DG(16:0_20:4)+NH4 DG(16:1_18:1)+NH4 DG(18:0_16:0)+NH4 DG(18:0_18:0)+NH4 DG(18:0_18:1)+NH4 DG(18:0_18:2)+NH4 DG(18:0_20:3)+NH4 DG(18:0_22:5)+NH4 DG(18:1_14:0)+NH4 DG(18:1_18:2)+NH4 DG(18:1_20:4)+NH4 DG(18:2_18:2)+NH4 Hex1Cer(d18:0_20:4)+HCOO Hex1Cer(d18:1_20:4)+HCOO Hex1Cer(d18:1_22:4)+HCOO Hex1Cer(d18:1_24:0)+H Hex1Cer(d18:1_24:1)+H Hex1Cer(d19:0_20:4)+HCOO Hex1Cer(d20:0_22:6)+HCOO Hex1Cer(d41:1)+HCOO Hex1Cer(d42:1)+HCOO Hex1Cer(t18:0_22:0)+H-H2O Hex1Cer(t18:0_23:0)+H-H2O Hex1Cer(t20:0_20:4)+HCOO Hex1Cer(t20:1_20:4)+HCOO LPC(14:0)+H LPC(15:0)+H LPC(16:0)+H LPC(16:0e)+H LPC(16:1)+H LPC(16:1e)+H LPC(16:2e)+H LPC(17:1)+H LPC(18:0)+H LPC(18:1)+H LPC(18:1e)+H LPC(18:2)+H LPC(18:2e)+H LPC(18:3e)+H LPC(19:0)+H LPC(20:1)+H LPC(20:2)+H LPC(20:3)+H LPC(20:4)+H LPC(20:5)+H LPC(22:4)+H LPC(22:5)+H LPC(22:6)+H PC(14:0_20:4)+HCOO PC(15:0_16:0)+HCOO PC(15:0_18:1)+HCOO PC(15:0_18:2)+HCOO PC(15:0_20:4)+HCOO PC(16:0_14:0)+HCOO PC(16:0_16:0)+HCOO PC(16:0_16:1)+HCOO PC(16:0_17:0)+HCOO PC(16:0_18:1)+HCOO PC(16:0_18:2)+HCOO PC(16:0_20:4)+HCOO PC(16:0_20:5)+HCOO PC(16:0_22:4)+HCOO PC(16:0_22:6)+HCOO PC(16:0e_16:0)+HCOO PC(16:0e_20:4)+HCOO PC(16:1_20:4)+HCOO PC(16:1e_18:1)+HCOO PC(16:1e_18:2)+HCOO PC(16:1e_20:4)+HCOO PC(16:1e_22:6)+HCOO PC(17:0_18:1)+HCOO PC(17:0_18:2)+HCOO PC(17:0_20:4)+HCOO PC(18:0_16:0)+HCOO PC(18:0_18:1)+HCOO PC(18:0_20:3)+HCOO PC(18:0_20:4)+HCOO PC(18:0_22:4)+HCOO PC(18:0_22:5)+HCOO PC(18:0e_20:4)+HCOO PC(18:1_18:2)+HCOO PC(18:1_20:4)+HCOO PC(18:1_22:5)+HCOO PC(18:1_22:6)+HCOO PC(18:1e_16:0)+HCOO PC(18:1e_18:2)+HCOO PC(18:1e_20:4)+HCOO PC(18:2e_20:4)+HCOO PC(18:2e_22:5)+HCOO PC(18:2e_22:6)+HCOO PC(19:0_18:1)+HCOO PC(19:0_18:2)+HCOO PC(19:0_22:5)+HCOO PC(19:0_22:6)+HCOO PC(20:1_18:2)+HCOO SM(d20:1_16:0)+H SM(d32:1)+H SM(d32:4)+H SM(d34:0)+H SM(d34:1)+H SM(d34:2)+H SM(d35:1)+H SM(d36:2)+H SM(d37:1)+H SM(d37:2)+H SM(d38:1)+H SM(d38:2)+H SM(d39:1)+H SM(d40:1)+H SM(d40:2)+H SM(d41:1)+H SM(d41:2)+H SM(d42:1)+H SM(d42:2)+H SM(d42:3)+H SM(d42:4)+H SM(d43:2)+H SM(d43:4)+H SM(d43:5)+H SM(d44:4)+H SM(d44:5)+H SM(d44:6)+H SM(t42:1)+H TG(15:0_14:0_16:0)+NH4 TG(15:0_14:0_16:1)+NH4 TG(15:0_16:0_16:0)+NH4 TG(15:0_16:0_16:1)+NH4 TG(15:0_16:1_16:1)+NH4 TG(15:0_16:1_18:1)+NH4 TG(16:0_14:0_14:0)+NH4 TG(16:0_14:0_16:0)+NH4 TG(16:0_14:0_16:1)+NH4 TG(16:0_16:0_16:0)+NH4 TG(16:0_16:0_16:1)+NH4 TG(16:0_16:0_17:0)+NH4 TG(16:0_16:0_18:1)+NH4 TG(16:0_16:1_17:0)+NH4 TG(16:0_16:1_18:1)+NH4 TG(16:0_16:1_24:0)+NH4 TG(16:0_17:0_18:1)+NH4 TG(16:0_17:1_18:1)+NH4 TG(16:0_18:1_18:1)+NH4 TG(16:0_18:1_20:4)+NH4 TG(16:0_18:2_18:2)+NH4 TG(16:1_14:0_14:0)+NH4 TG(16:1_14:0_16:1)+NH4 TG(16:1_14:0_18:1)+NH4 TG(16:1_16:1_16:1)+NH4 TG(16:1_16:1_17:1)+NH4 TG(16:1_16:1_18:1)+NH4 TG(16:1_17:1_18:1)+NH4 TG(16:1_18:1_18:1)+NH4 TG(17:0_18:1_18:1)+NH4 TG(18:0_16:0_16:0)+NH4 TG(18:0_16:0_18:0)+NH4 TG(18:0_16:0_18:1)+NH4 TG(18:0_18:0_18:0)+NH4 TG(18:0_18:0_18:1)+NH4 TG(18:0_18:1_18:1)+NH4 TG(18:1_17:1_18:1)+NH4 TG(18:1_18:1_18:1)+NH4 TG(18:1_18:1_18:2)+NH4 TG(18:1_18:2_18:2)+NH4 TG(20:0_18:1_18:1)+NH4 TG(25:0_14:0_16:0)+NH4 TG(25:0_15:0_16:0)+NH4 TG(25:0_16:0_16:1)+NH4 METABOLITES_END #END