#METABOLOMICS WORKBENCH efahy_20160119_090226 STUDY_ID:ST000324 ANALYSIS_ID:AN000516 PROJECT_ID:PR000261 VERSION 1 CREATED_ON January 15, 2016, 12:53 pm #PROJECT PR:PROJECT_TITLE Progesterone level effects on primary metabolites in uterus, blood, and ovaries PR:PROJECT_SUMMARY In this experiment a hormonal protocol was applied to control follicle growth to PR:PROJECT_SUMMARY yield larger or smaller preovulatory follicle and CLs and consequently different PR:PROJECT_SUMMARY circulating Progesterone (P4) concentrations during early diestrus. The two PR:PROJECT_SUMMARY different animal's group are: high or low progesterone levels. The effects of PR:PROJECT_SUMMARY these progesterone levels was tested in the uterus, blood, and ovaries of the PR:PROJECT_SUMMARY cow. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE U24DK097154 #STUDY ST:STUDY_TITLE Progesterone level effects on primary metabolites in uterus, blood, and ovaries ST:STUDY_TITLE (Part 3:Ovaries) ST:STUDY_SUMMARY In this experiment a hormonal protocol was applied to control follicle growth to ST:STUDY_SUMMARY yield larger or smaller preovulatory follicle and CLs and consequently different ST:STUDY_SUMMARY circulating Progesterone (P4) concentrations during early diestrus. The two ST:STUDY_SUMMARY different animal's group are: high or low progesterone levels. The effects of ST:STUDY_SUMMARY these progesterone levels was tested in the ovaries (follicle fluid) of the cow. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, ST:ADDRESS CA 95616 ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 1 ST:TOTAL_SUBJECTS 20 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Bos taurus #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 191 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 192 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 193 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 194 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 195 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 196 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 197 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 198 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 199 Organ:Follicle Fluid SUBJECT_SAMPLE_FACTORS - 200 Organ:Follicle Fluid #COLLECTION CO:COLLECTION_SUMMARY Follicular Fluid: Follicular Fluid were obtained by postmortem aspiration of the CO:COLLECTION_SUMMARY ovarian dominant follicle and kept at 80ÂșC. There was no inactivation or CO:COLLECTION_SUMMARY attenuation because samples are not biohazard. CO:COLLECTION_PROTOCOL_FILENAME StudyDesign-MarioBinelli-101414.pdf CO:SAMPLE_TYPE Follicular fluid #TREATMENT TR:TREATMENT_SUMMARY There was no specific treatment. A hormonal protocol was applied to control TR:TREATMENT_SUMMARY follicle growth to yield larger or smaller preovulatory follicle and CLs and TR:TREATMENT_SUMMARY consequently different circulating Progesterone (P4) concentrations during early TR:TREATMENT_SUMMARY diestrus. The two different animal's group are: high or low progesterone levels. TR:TREATMENT_PROTOCOL_FILENAME StudyDesign-MarioBinelli-101414.pdf #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME SOP Extraction of Mammalian Tissue Samples.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UPLC CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Unspecified CH:COLUMN_NAME Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) CH:COLUMN_NAME 1.7um Pre-Column CH:FLOW_GRADIENT 15% B to 99% B CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 65 C CH:METHODS_FILENAME Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf CH:SOLVENT_A 60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid CH:SOLVENT_B 9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid CH:COLUMN_PRESSURE 450-850 bar CH:INTERNAL_STANDARD See data dictionary CH:RETENTION_TIME See data dictionary CH:SAMPLE_INJECTION 1.67 uL CH:ANALYTICAL_TIME 13 min CH:CAPILLARY_VOLTAGE 3500 CH:TIME_PROGRAM 15 min CH:WEAK_WASH_SOLVENT_NAME Isopropanol CH:WEAK_WASH_VOLUME 5 seconds CH:STRONG_WASH_SOLVENT_NAME Isopropanol CH:TARGET_SAMPLE_TEMPERATURE Autosampler temp 4 C CH:RANDOMIZATION_ORDER Excel #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:DETECTOR_TYPE TOF MCP AN:SOFTWARE_VERSION MassHunter AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs MS:CAPILLARY_VOLTAGE 3500 MS:COLLISION_GAS Nitrogen MS:DRY_GAS_FLOW 8 l/min MS:DRY_GAS_TEMP 325 MS:FRAGMENT_VOLTAGE 120 MS:FRAGMENTATION_METHOD Auto MS/MS MS:ION_SOURCE_TEMPERATURE 325 MS:ION_SPRAY_VOLTAGE 1000 MS:IONIZATION Pos MS:PRECURSOR_TYPE Intact Molecule MS:REAGENT_GAS Nitrogen MS:SOURCE_TEMPERATURE 325 C MS:DESOLVATION_GAS_FLOW 11 l/min MS:DESOLVATION_TEMPERATURE 350 C MS:NEBULIZER 35 psig MS:OCTPOLE_VOLTAGE 750 MS:RESOLUTION_SETTING Extended Dynamic Range MS:SCAN_RANGE_MOVERZ 60-1700 Da MS:SCANNING_CYCLE 2 Hz MS:SCANNING_RANGE 60-1700 Da MS:SKIMMER_VOLTAGE 65 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples 191 192 193 194 195 196 197 198 199 200 Factors Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid Organ:Follicle Fluid CE (16:1) 390638.325 203346.622 386567.981 200002.705 398284.925 311990.103 152652.605 126651.224 251011.409 384421.051 CE (18:1) 953207.51 661116.213 1025156.134 635038.366 889243.701 907642.597 379844.855 266531.066 703304.858 955686.773 CE (18:2) 4499771.174 3729255.643 4883174.639 3232411.926 4444259.799 5394135.156 2166020.031 1535093.183 4079449.336 4400891.813 CE (18:3) 4812899.444 3540364.036 5297688.002 3033800.314 4594183.156 6089869.88 1993383.331 1619341.069 4063191.488 4530698.73 CE (20:3) 171425.008 241288.463 309878.465 140171.001 272539.529 263525.364 85868.377 50511.675 166981.157 254025.934 CE (20:4) 875556.287 837379.166 900278.333 652040.287 801490.143 872874.095 549990.528 332982.961 734032.426 791793.666 CE (20:5) 1037717.145 750607.902 846296.278 640702.732 780891.379 967262.549 553484.436 450114.168 711216.148 831017.783 CE (22:6) 191000.304 209237.445 95273.695 107020.049 90965.13 96341.278 76904.209 18875.338 90688.676 151167.4 Ceramide (d40:1) 8114.219 7726.007 14081.508 7261.329 12419.843 8184.803 6758.418 6393.734 Ceramide (d42:1) 13837.405 14184.443 28495.349 11043.455 16928.396 22431.007 6093.752 9872.937 13987.396 Ceramide (d42:2) 48176.521 45726.668 93726.729 57767.122 43794.431 89818.14 24560.291 6093.752 35183.183 19345.898 CSH_posESI #002 97191.227 59864.055 117884.103 41897.486 79227.599 172307.308 25839.626 14537.363 76530.702 93835.546 CSH_posESI #033 32989.197 51035.173 33880.32 42062.182 42288.639 29639.398 28862.974 20187.024 39409.4 44462.038 CSH_posESI #034 10093.512 6961.347 7373.087 7923.054 5955.525 8431.847 7699.538 8705.36 CSH_posESI #037 306725.713 445223.285 233774.208 315057.566 230186.188 265137.032 370204.257 122722.048 264760.584 248276.279 CSH_posESI #040 14737.351 18740.052 22257.488 12190.445 19516.476 31165.777 18781.226 9611.188 20628.174 24772.043 CSH_posESI #061 327768.568 205752.36 388129.652 184721.269 333206.477 351296.568 127139.43 87524.16 245538.208 330130.191 CSH_posESI #062 105311.328 16078.447 290097.299 55273.154 171769.105 289914.957 70616.351 26210.192 138415.224 192041.418 CSH_posESI #106 122054.441 54923.175 145729.491 34036.193 45109.058 147311.749 16722.526 12425.725 41929.837 128492.29 CSH_posESI #109 A 24213.253 40803.434 37221.296 12925.695 8958.286 7570.134 18398.896 21978.093 10937.579 22801.573 CSH_posESI #109 B 24213.253 40803.434 37221.296 10346.438 25213.193 11719.885 11031.691 8961.227 16881.34 70869.277 CSH_posESI #122 73560.292 37212.473 179936.262 29095.313 93800.254 235482.929 7908.349 64581.419 88588.802 CSH_posESI #124 30248.185 35603.746 21075.206 32168.658 32786.268 19534.122 31004.022 17016.626 38118.301 32883.321 CSH_posESI #130 63363.845 48367.686 64363.785 19442.951 48276.515 67472.422 10049.397 35139.068 72966.21 CSH_posESI #141 34597.924 47447.153 39509.394 11105.216 59064.103 22472.181 37083.069 11731.649 75607.228 109202.271 CSH_posESI #155 113816.7 93841.428 150502.734 64531.422 131527.402 140185.706 60475.783 50935.179 87065.364 108146.452 CSH_posESI #159 340329.579 417042.623 240767.906 322418.889 250111.463 227048.141 412551.716 182209.655 297443.917 264372.372 CSH_posESI #196 11775.764 12708.061 13890.343 6661.365 7626.013 11678.711 9575.896 10549.367 45144.35 CSH_posESI #201 2317266.838 1909273.672 2553443.843 1666164.73 2308440.897 2706766.996 1190349.163 787041.01 2069611.11 2315469.887 CSH_posESI #203 20875.218 26380.77 21510.474 9325.911 19584.119 10811.116 16578.417 8202.449 35650.802 44900.247 CSH_posESI #205 238003.366 168842.81 152479.086 208837.469 258458.021 281241.948 152499.673 101902.709 256234.625 124892.506 CSH_posESI #214 19304.724 13072.745 25024.969 7314.267 14734.41 11499.31 8899.466 17937.159 35294.941 CSH_posESI #215 20613.469 25269.072 37435.989 6837.825 32768.622 10405.258 14613.829 28033.612 78733.511 CSH_posESI #230 109058.162 123233.782 70472.242 136468.282 107343.559 56440.731 155508.316 103484.967 113516.718 121730.931 CSH_posESI #231 19419.423 23116.26 28880.62 18934.158 18645.94 26424.885 20757.578 13940.34 18510.654 18313.607 CSH_posESI #232 48461.798 41518.097 36647.801 37733.03 43900.307 39506.453 27410.12 9408.259 37236.001 48573.556 CSH_posESI #261 206231.743 107364.146 319730.815 47655.964 176589.404 635317.761 26060.201 135503.634 191617.914 CSH_posESI #285 103390.855 140338.638 81680.393 176086.493 110075.748 81539.225 208087.514 211554.953 127907.031 113907.871 CSH_posESI #286 35339.056 27707.161 25451.414 20475.242 30295.241 35056.72 15452.014 29342.357 36386.052 CSH_posESI #288 30748.155 15437.309 45920.774 23325.071 34080.308 47529.501 11552.248 11011.104 26683.693 41626.914 CSH_posESI #290 16710.762 23616.23 12943.341 25469.06 16854.871 11414.021 28560.051 29357.062 18684.173 17463.658 CSH_posESI #301 71236.902 106893.586 46364.865 142017.949 76351.301 43715.024 164225.44 152749.658 95088.412 80924.556 CSH_posESI #303 155443.614 189220.999 107090.633 177689.338 172083.792 95473.683 180136.25 97479.445 197608.731 181559.694 CSH_posESI #304 66693.057 63990.278 58031.812 60669.889 65128.445 63322.671 54693.777 40794.611 63852.051 65513.716 CSH_posESI #308 167531.124 182489.05 143979.596 224010.088 174460.12 142882.603 230783.211 249829.127 180600.928 179856.855 CSH_posESI #310 109808.117 90659.266 118319.371 73154.434 100055.761 132624.395 48182.403 32056.9 93826.723 105581.9 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 133000.843 88365.286 120045.738 63696.178 113334.376 134459.579 54779.066 41694.557 89865.196 136885.904 LPC (14:0) 81136.308 38100.655 81348.06 33953.845 39803.494 119025.211 12552.188 59384.672 60852.231 LPC (15:0) 208872.761 80151.073 190191.529 95535.444 95608.969 242591.326 32236.301 13060.981 125789.511 193109.001 LPC (16:0) 5325383.399 2768513.291 5677368.161 2764431.183 2965339.716 7668063.418 1037452.455 459248.914 3393778.714 5609689.869 LPC (16:1) 360454.842 107290.621 253246.569 105093.694 125389.535 248261.574 60519.898 16887.222 190917.956 136635.919 LPC (17:1) 350073.112 113946.104 275895.21 116463.6 169463.361 218295.725 61319.85 23572.115 243250.11 127824.683 LPC (18:0) 8710103.833 6249657.351 11152186.71 6050534.005 7335906.878 13603063.18 1981295.821 1348986.703 6516723.679 10716195.23 LPC (18:1) 10847316.77 3350696.005 7232686.601 2977880.14 4101586.243 6914002.782 2119393.417 507340.146 6815573.394 4541956.878 LPC (18:2) 3438170.168 943211.051 1557300.674 729170.953 840961.304 1864023.446 933708.68 114410.782 2459040.684 794919.949 LPC (18:3) 930658.863 217372.251 383562.279 185227.121 180365.648 517568.944 250843.772 21739.872 757292.795 168769.285 LPC (20:2) 66560.712 29809.976 44550.268 22466.299 26760.159 47094.233 21104.616 20984.035 44159.115 24772.043 LPC (20:3) 507019.577 196897.009 262513.66 86962.429 132147.953 210181.506 154870.119 12222.796 405558.018 88871.138 LPC (22:4) 88803.495 37821.26 35147.891 19863.514 20936.979 31262.83 39559.391 75871.918 31324.591 LPC (22:5) 458266.62 104308.447 114599.006 48405.919 55640.779 142962.01 217960.451 7855.411 281080.193 51067.524 LPC (22:6) 151220.338 38650.622 19310.606 10405.258 8705.36 27154.253 85233.121 70348.72 11755.177 LPC (o-16:0) 52088.051 31936.319 64396.136 29598.224 29301.183 76451.295 12663.946 6973.111 33577.397 62475.663 LPC (p-16:0) or LPC (o-16:1) 248820.364 147067.646 340094.299 142076.769 150990.94 425871.505 39600.565 30071.725 166231.202 270492.593 LPC (p-18:0) or LPC (o-18:1) 49558.791 40294.641 78777.626 33374.468 29701.159 66493.069 14269.732 32406.879 44979.654 PC (28:0) 101493.91 35827.262 47417.743 24513.235 30980.494 132227.36 14778.525 11808.115 35800.793 74169.079 PC (30:0) 599964 768324.486 681900.26 265592.887 527730.099 712245.498 407975.52 126848.271 599455.207 570098.145 PC (31:0) 501355.211 386385.639 623186.136 215887.046 529968.2 544270.283 249352.685 124539.586 438597.212 448302.512 PC (32:0) 1831304.821 1877572.633 1959167.737 833317.645 1562882.692 2420522.407 1050207.572 338494.395 1568479.415 1433831.612 PC (32:1) 2329654.33 1654506.606 2318966.736 848346.155 1830731.326 2180028.014 899416.62 337273.88 1598868.768 1543089.762 PC (32:2) 161710.885 106872.999 265189.97 63984.396 153296.684 308728.534 270789.634 23645.64 219519.181 135144.832 PC (32:3) 8881699.419 7604408.414 15289526.69 7263375.936 11350877.73 17572345.6 1564926.687 2083854.373 10546890.68 9912775.786 PC (33:0) 503072.755 445096.822 666262.963 279730.274 618430.539 535817.849 309360.849 190156.237 498173.049 498461.267 PC (33:1) 2623948.436 1692210.226 3102163.859 1579322.882 2665457.71 2767242.779 1152733.773 762242.498 2023769.743 2669095.727 PC (33:2) 475912.62 307213.919 631526.812 271063.147 477883.09 783702.975 873277.012 115672.471 570565.764 488538.333 PC (34:0) 1174438.353 1144966.592 1606885.934 514469.13 1083532.043 1871740.63 434403.346 217866.339 947172.578 1170309.189 PC (34:2) 14767187.45 11816467.44 16491863.37 8877149.692 14130225.67 21575381.87 7910151.833 4333019.415 12761628.37 14698935.66 PC (34:3) 4825925.133 3399090.16 6187140.514 2137589.384 4930221.816 8652383.767 1695086.524 1064068.505 4734471.797 4486277.866 PC (34:4) 111928.578 79301.124 189873.901 35962.548 121510.356 187812.26 117404.72 19607.647 126274.776 83709.683 PC (35:1) 4963908.03 3651357.376 6654712.458 3509342.368 5786323.388 6897503.772 2287527.446 1562244.495 5012646.282 4997238.383 PC (35:2) 2005420.844 1583431.459 2675818.853 1482802.203 2236745.199 3145284.801 1009354.141 639988.069 2064493.77 2120663.929 PC (35:3) 781153.128 580109.309 1115530.123 491229.348 979932.377 1314935.805 352943.528 264016.511 991193.466 846640.375 PC (36:1) 28216830.42 25192791.28 32372248.73 22591053.28 29185825.22 33096081.76 17930862.32 12687056.38 27334892.16 29115605.9 PC (36:2) 21594289.56 19735298.16 26525578.96 15531541.58 22902637.52 29630595.59 13272638.89 8688399.253 22336659.72 22669839.73 PC (36:3) 12049321.12 11230282.03 16044728.44 7660634.452 13585943.62 18349110.75 6564947.256 4497015.457 13831473 11801627.15 PC (36:4) A 4206424.07 3049261.151 4873048.776 1899147.809 3817091.549 5081736.254 1754771.178 736505.807 3103049.1 3174985.96 PC (36:4) B 1125123.665 1208939.224 917739.05 1330855.438 1115647.763 889581.916 1344572.262 1052945.643 1141940.303 1164744.817 PC (36:5) 2223381.295 1044146.171 2027754.798 635947.135 1371061.849 2532700.97 664310.139 333632.922 993613.909 1349336.682 PC (37:2) 483806.264 400496.557 775638.753 258513.9 573133.257 922441.709 168898.689 95091.353 469380.659 493473.331 PC (37:3) 278956.791 333974.078 413607.535 254372.972 354287.565 365698.645 158458.139 98385.273 319330.839 242994.243 PC (37:4) 504446.202 402337.623 520201.139 335103.422 422148.199 548402.388 284927.021 108593.484 347573.262 389656.031 PC (38:3) 4310256.075 7122290.284 7006917.795 3446278.505 5691893.76 6447583.71 2772236.597 1213283.081 4591333.327 4038092.994 PC (38:4) 1542860.364 1606268.324 1419003.09 1751189.04 1577943.553 1393216.402 1861150.089 1703888.937 1569861.685 1558056.511 PC (38:5) 4312114.787 2868074.964 3551613.361 1611723.879 2829977.25 4014223.838 1959014.805 1045922.535 2527565.984 2652399.67 PC (38:6) 510478.193 451481.733 495693.786 238932.722 323280.602 491008.773 371413.008 88365.286 292094.238 359210.799 PC (38:7) 308890.289 41379.87 431382.939 17201.909 33259.769 73054.44 402640.546 7602.485 299299.688 33159.775 PC (40:4) 1067877.1 581788.62 1109430.489 831958.903 1144522.501 963768.641 334909.316 389291.347 1114197.85 1115253.669 PC (40:5) 3850263.088 4385057.469 3658721.64 2597594.135 2706761.114 4304165.264 2570578.109 847969.707 2744058.876 2992764.541 PC (40:6) 1059545.247 1144728.371 590191.057 608260.561 564648.472 576741.864 525092.022 209116.864 696881.714 803584.135 PC (40:8) 29001.201 18031.271 27077.787 12322.79 17310.726 20207.611 16425.485 13849.169 22101.615 19369.426 PC (42:6) 283027.135 195752.96 450590.61 157925.818 387294.408 306172.805 28724.747 29168.838 443514.564 286268.117 PC (42:7) 206637.601 118257.61 106364.206 153584.902 136947.665 86621.273 78245.305 73113.26 173783.69 175365.948 PC (o-32:0) 160699.181 136100.657 152090.874 85986.017 126398.298 204640.662 73451.475 33445.052 116172.441 201484.969 PC (o-34:0) 161963.811 143606.089 248238.046 80386.353 162360.846 334791.676 52217.455 23842.687 109558.132 225357.066 PC (p-32:0) or PC (o-32:1) 481003.491 472265.78 617015.918 283280.061 435029.779 725609.402 95879.541 97964.71 343000.007 530088.781 PC (p-34:0) or PC (o-34:1) 2000244.684 1216021.152 2382357.05 944834.483 1577587.692 2105932.46 516595.473 301658.37 1340628.381 2358193.794 PC (p-34:1) or PC (o-34:2) 4444698.008 3580955.718 5913409.88 2691973.766 3735561.147 5046120.744 769262.665 1284449.399 3029535.864 5060396.358 PC (p-34:2) or PC (o-34:3) 3976229.059 3475167.948 6237775.711 2595276.627 4050104.038 7111655.628 659436.902 1027382.471 3720309.121 4558173.552 PC (p-36:1) or PC (o-36:2) 733217.769 324433.474 772777.16 310966.635 516074.916 894152.23 143703.142 93015.007 467483.714 855001.638 PC (p-36:2) or PC (o-36:3) 458469.549 323312.953 746931.652 261366.67 391620.619 755257.623 183041.958 133583.161 394961.595 536779.556 PC (p-36:3) or PC (o-36:4) 1027438.35 1253889.468 1531178.712 1018780.046 1105763.062 1340510.741 758619.186 781617.806 1080788.09 1107560.013 PC (p-36:4) or PC (o-36:5) 845949.24 726021.142 866380.367 489544.155 576565.404 754822.355 148044.058 145953.007 468571.884 770644.935 PC (p-38:3) or PC (o-38:4) 957807.234 762389.548 960689.414 858248.502 1067071.266 1012303.964 410131.273 363836.992 978129.544 975188.544 PC (p-38:4) or PC (o-38:5) 407410.848 337682.679 358678.478 301946.588 348273.22 386965.016 205567.077 102287.98 309087.336 373927.563 PC (p-38:5) or PC (o-38:6) 1056713.064 1379602.513 1165735.934 937308.464 1237484.57 1564041.446 205237.685 299764.366 728644.514 816601.001 PC (p-40:3) or PC (o-40:4) 151008.586 103952.586 245885.246 58128.865 161252.089 299573.201 28701.219 14972.631 123404.36 159234.563 PC (p-40:4) or PC (o-40:5) 225042.379 190323.874 295070.53 137568.216 217157.558 430309.474 73177.962 30383.471 161619.714 199035.116 PC (p-40:5) or PC (o-40:6) 88347.64 96767.723 103411.442 60614.01 73257.369 99114.641 38806.495 19137.087 54223.217 73319.13 PC (p-40:6) A or PC (o-40:7) A 69651.703 74674.931 58811.177 62778.586 59846.409 62590.362 41573.976 18548.887 56861.294 56543.666 PC (p-40:6) B or PC (o-40:7) B 41571.035 41988.657 21510.474 22572.175 45635.497 49582.319 12169.858 12728.648 50335.215 37344.818 PC (p-40:7) or PC (o-40:8) 37397.756 33856.792 33206.831 33368.586 34856.732 37418.343 21631.055 10514.075 35444.932 38344.758 PC (p-42:4) or PC (o-42:5) 20813.457 18540.064 28630.635 12449.253 19707.641 41185.764 6981.934 12490.427 17040.154 PC (p-42:5) or PC (o-42:6) 22763.34 33068.604 63937.34 27604.226 55137.868 56561.312 22245.724 19463.538 35227.298 55990.758 PE (34:3) 2563857.924 1866279.193 5553375.601 1947541.964 3153713.707 6495333.786 356096.28 525150.842 3013213.314 3189308.63 PE (p-36:4) or PE (o-36:5) 19745.874 48194.167 37283.057 21322.25 32383.351 27786.568 8305.384 15557.89 13002.161 18784.167 PE (p-38:4) or PE (o-38:5) 16113.739 38700.619 35509.634 16404.898 32530.401 32021.608 11152.272 11022.868 15437.309 16143.149 SM (d30:1) 69836.986 21248.725 86471.282 23004.502 59905.229 152587.903 8578.897 8914.171 39094.713 67695.938 SM (d32:0) 304987.582 106367.147 261940.165 55549.608 178139.311 412472.309 36427.226 29527.64 114204.912 180148.014 SM (d32:1) 3179612.153 1641395.628 3259213.259 986205.53 2262420.129 4378172.588 575838.977 312148.917 1584052.01 2471889.913 SM (d32:2) 93914.953 50511.675 101882.122 28163.016 52696.838 143264.933 16963.688 11334.614 50088.171 58664.127 SM (d33:1) 3480958.777 2389647.789 4085987.179 1520032.322 2765125.259 4748156.27 860424.842 395076.294 2233795.376 2779653.799 SM (d34:1) 17909307.73 13870585.36 17898967.17 10356199.18 15594355.46 19898747.18 7691835.521 4037295.983 14130978.56 17693844.19 SM (d34:2) 4020332.295 2682750.79 4135863.598 1484008.013 2989473.562 4886315.627 1292931.243 609434.02 2681518.511 3186661.73 SM (d36:1) 4577995.892 3254916.458 6594024.923 3415968.559 5066572.458 6278496.797 1213259.553 1269685.579 4097689.418 4987086.051 SM (d36:3) 1565409.011 1216421.128 3535743.725 1084229.06 2046756.599 4459147.141 198355.745 308866.761 1892789.367 1684448.927 SM (d38:1) 802801.829 545443.742 1163941.924 408301.971 796802.189 1107010.046 134197.83 132594.985 591461.569 1011356.962 SM (d39:1) 1133120.244 595123.114 1383540.512 460207.68 908557.248 1587881.192 189659.208 114681.354 624571.347 1207851.054 SM (d40:1) 2444209.221 1571452.766 2698899.821 1099751.658 2008973.572 3444722.716 623874.33 312328.318 1576067.195 2823318.826 SM (d40:2) 545676.081 407640.246 543437.98 236821.084 437764.909 638444.044 135980.076 65043.156 279012.67 560148.742 SM (d41:1) 3381550.036 1939471.86 3991563.433 1434860.962 2869377.827 5311587.168 845122.819 360487.193 2196853.475 4251139.034 SM (d41:2) 861551.245 506631.365 950613.548 315683.999 651399.149 1412418.191 237806.319 87306.526 573033.263 851484.202 SM (d42:1) 2654158.388 1780069.66 3154048.981 1142675.553 2354191.093 3927267.291 761642.534 340900.133 1683666.621 3749477.959 SM (d42:2) 2555964.28 2173840.15 2954987.396 1231987.841 2072346.24 3283929.423 877653.22 316775.11 1651997.933 3073403.82 SM (d42:3) 756042.87 832026.546 702069.638 899357.8 773085.965 707707.535 951013.524 880905.966 813536.479 808377.965 SM (d43:1) 419751.284 300276.1 701310.86 255878.764 534394.405 903604.604 126121.844 77183.604 429138.956 551913.942 SM (d43:2) 192341.4 149802.776 259837.35 104299.624 190850.313 325259.895 50273.454 26577.817 145103.058 200576.2 SM (d44:2) 58237.682 55267.272 96282.458 32700.979 68272.374 90859.254 25419.063 12469.84 50802.834 69054.68 TG (14:0/14:0/14:0) 15593.182 13408.019 11872.817 13793.29 12349.259 12711.002 43609.148 13260.969 16193.146 13263.91 TG (46:0) 29457.056 39147.651 32080.428 12584.539 42938.6 13605.066 33639.158 18190.085 61213.974 104399.618 TG (46:1) 27992.438 26477.823 41968.07 9243.563 25963.148 12799.232 22769.222 11278.735 29410 48782.367 TG (48:0) A 27513.055 46347.219 28824.741 13575.656 51682.193 14499.13 36759.559 14557.95 75316.069 126280.658 TG (48:0) B 99202.871 137059.423 115387.194 29371.767 169401.6 58246.505 91647.442 32615.69 277871.562 504475.612 TG (48:1) 99461.679 93591.443 135400.699 26645.46 80739.273 26989.557 87221.237 41212.233 128051.14 191214.997 TG (48:2) 45435.509 44179.702 73816.159 20942.861 43694.437 15657.884 47873.598 28636.517 42703.32 77386.533 TG (49:0) 43917.953 130812.739 84209.653 19557.65 247214.578 51561.612 100473.383 19307.665 243129.529 773582.994 TG (49:1) 49158.815 69019.388 75642.52 10384.671 80377.53 17013.685 50991.058 10343.497 94679.613 258678.596 TG (49:2) 33686.214 23722.106 69348.78 26263.13 9281.796 13496.249 23675.05 57381.851 TG (50:0) 127980.556 268986.801 175371.83 34506.753 445329.161 218239.846 198476.326 45282.577 579729.92 1283343.583 TG (50:1) 484865.024 449393.623 613545.538 129274.596 351387.739 178951.027 337050.364 133253.769 674121.315 911145.328 TG (50:2) 218457.48 211072.629 313851.756 119581.06 151655.606 96108.939 206887.586 143344.34 196882.304 294708.787 TG (50:3) 112640.3 88341.758 168783.99 74704.341 73072.086 52646.841 90515.157 73360.304 77201.25 128568.756 TG (50:4) 28365.945 12702.179 60981.635 12396.315 8352.44 7278.975 11361.083 21216.374 TG (51:1) 74369.067 116237.143 125136.609 12810.996 188000.484 34059.721 73180.903 11266.971 231380.234 680935.612 TG (51:2) 98120.583 91868.017 154934.821 12384.551 86483.046 31121.662 58255.328 14963.808 113025.571 264419.428 TG (51:3) 36330.173 22910.39 71395.716 23639.758 9196.507 14057.98 23386.832 53711.483 TG (52:0) 207278.739 866148.028 370542.472 94326.693 1738142.764 1159724.53 742987.771 197258.752 1830640.155 2646670.602 TG (52:1) 443414.57 645820.072 559022.339 70357.543 894128.702 301593.668 391191.233 69807.576 1363929.924 3281550.154 TG (52:2) 823721.162 723912.445 1023529.761 317319.195 337641.505 360760.706 472254.016 306661.011 716389.367 959021.867 TG (52:3) 441814.666 344658.731 580585.751 283159.48 232018.431 209919.757 358987.283 310454.901 303828.828 320966.035 TG (52:4) 259852.055 129574.578 429888.911 109584.601 103599.666 93432.629 111731.531 98549.969 133568.456 146132.408 TG (52:5) 77857.093 26110.198 147202.932 16337.255 19787.048 13219.795 16737.231 7023.108 30224.657 26571.935 TG (53:1) 42447.453 84659.626 59652.303 6661.365 123642.581 30448.173 54329.093 12213.973 188494.572 364401.664 TG (53:2) 83830.264 97982.356 113837.287 27445.412 70028.151 34803.794 54349.68 55723.127 121189.787 171710.285 TG (53:3) 55493.729 50517.557 87291.821 9755.297 34494.989 20342.897 26530.761 45461.978 62069.805 TG (53:4) 21539.884 12602.185 35786.088 8887.702 6529.02 7517.196 10984.635 13019.807 TG (54:1) 197149.935 535917.843 257325.736 54443.792 795493.444 348902.594 346708.608 93185.585 1392084.117 2980362.344 TG (54:2) 248655.668 284865.26 262919.518 57605.367 239438.574 108646.422 132892.026 40159.355 506293.15 1250342.622 TG (54:3) 219977.977 296364.57 284918.198 191491.451 163487.249 166119.444 229447.997 224568.878 230042.079 524274.424 TG (54:4) 198249.869 200508.557 224371.831 186627.037 155043.638 129027.552 211057.924 220910.274 153555.492 215572.359 TG (54:5) 151426.208 96911.832 217331.077 89400.518 75404.299 73004.443 83421.465 73095.614 85656.625 94973.713 TG (54:6) 26474.882 11899.286 53102.696 6073.165 6464.318 6846.648 6805.474 11452.254 7864.234 TG (55:3) 6326.091 8681.832 12011.044 37059.541 8287.738 5908.469 16222.556 58581.779 TG (56:2) A 57161.276 55158.455 89376.99 15707.881 101623.314 80524.58 30042.315 17007.803 115281.318 279692.041 TG (56:2) B 17463.658 53099.755 24604.406 6761.359 17451.894 11519.897 11525.779 27642.459 67819.46 TG (56:3) 37747.735 68348.84 53020.348 20366.425 32500.991 23710.342 19042.975 32242.183 78442.352 TG (56:4) 33015.666 54026.17 54876.119 13878.579 15163.796 14757.938 13869.756 8920.053 19919.393 42470.981 TG (56:5) 81636.278 89309.347 131759.741 30495.229 30115.84 28642.399 36003.722 19319.429 44106.177 46135.467 TG (56:6) A 95385.453 72795.632 180253.89 19610.588 13775.644 25001.441 36362.524 37462.458 34859.673 13440.37 TG (56:6) B 45532.562 49476.443 61584.54 45656.084 33024.489 29110.018 54761.42 59440.551 37338.936 50094.053 TG (56:7) 41323.991 17857.752 79024.67 6673.129 7020.167 8014.225 9819.999 13549.187 8981.814 TG (58:1) 27174.84 96785.369 42856.252 9478.843 124074.908 41124.003 57273.034 11775.764 119689.877 296029.296 TG (58:2) 38541.805 112769.704 56361.324 19384.131 129077.549 70289.9 64443.192 21825.161 110546.308 119695.759 TG (58:3) 14740.292 12890.403 22416.302 7340.736 72375.069 25727.868 35268.472 8364.204 64354.962 164587.183 TG (58:6) 58658.245 68537.064 103337.917 48270.633 39938.78 51508.674 51946.883 69337.016 52843.888 25654.343 TG (60:2) 22089.851 63360.904 25642.579 73501.472 33477.403 35265.531 11078.747 74983.736 89606.388 0.51_114.07 889467.217 483391.583 898746.072 378471.408 596881.832 660786.821 210075.63 165566.536 532041.605 397649.669 0.50_132.08 126048.319 114366.667 153055.522 201332.037 200308.569 595967.181 54593.783 65672.53 355187.511 91632.737 0.53_136.05 595464.27 403128.752 486467.869 342858.839 444999.769 494820.309 207766.945 187121.125 368042.622 329115.546 12.46_186.06 108378.791 263816.523 253675.955 259328.557 237847.493 110569.836 253496.554 259763.825 252858.357 245455.86 0.62_202.09 133080.25 55076.107 132662.628 41118.121 38553.569 56602.486 33627.394 13631.535 63360.904 53964.409 0.52_202.18 265689.94 410654.771 105534.844 121986.798 116478.305 76401.298 107355.323 90273.995 98311.748 107237.683 0.69_212.02 72675.051 99964.59 78633.517 122489.709 73666.168 102220.337 131239.184 107340.618 100832.185 114328.434 0.61_218.21 44553.209 78298.243 94720.787 104767.243 299296.747 101040.996 137462.34 145700.081 79092.313 69051.739 0.50_221.17 28745.334 47450.094 12784.527 15554.949 14990.277 9858.232 12102.215 13393.314 10814.057 17613.649 3.10_221.17 21016.386 24127.964 8825.941 14957.926 34339.116 13172.739 7478.963 27807.155 8531.841 19422.364 2.98_228.20 144176.643 116742.995 38106.537 73098.555 268425.07 81174.541 27104.256 191541.448 45097.294 139259.291 0.50_243.18 187077.01 278503.877 75280.777 87718.266 83683.214 60161.096 69601.706 79798.153 63681.473 107396.497 3.10_244.19 48402.978 50270.513 15925.515 26742.513 79254.068 26816.038 11258.148 62152.153 14684.413 41471.041 0.69_246.24 41688.675 51849.83 53893.825 81874.499 153714.306 74860.214 75163.137 104417.264 52067.464 51073.406 0.69_250.18 56352.501 32730.389 23592.702 24810.276 127445.294 64175.561 39391.754 27486.586 74036.734 51011.645 3.52_261.15 16596.063 18504.772 15331.433 19475.302 16575.476 22554.529 18295.961 20004.682 18737.111 18960.627 0.61_262.24 22086.91 38491.808 39468.22 53470.321 109549.309 48220.636 69087.031 78709.983 43962.068 33442.111 1.16_267.19 75036.674 83474.403 82977.374 92535.624 79556.991 83533.223 56573.076 92253.288 82512.696 85165.478 0.85_274.27 437647.269 469612.998 457010.813 850898.943 1149895.708 785888.138 495379.099 846258.045 483415.111 467304.313 0.73_279.09 73333.835 74030.852 68625.294 91056.301 70919.274 78157.075 83518.518 88174.121 72613.29 81618.632 1.90_284.33 39529.981 39441.751 36327.232 164769.525 39968.19 61161.036 14031.511 28207.131 29307.065 30133.486 1.17_302.31 92953.246 101617.432 92870.898 171513.238 201805.538 151482.087 85909.551 161622.655 92706.202 88659.386 0.72_304.26 35689.035 56958.347 39150.592 55164.337 42306.285 46100.175 73498.531 112560.893 42779.786 71378.07 1.01_310.24 12308.085 11193.446 14616.77 8737.711 12149.271 11499.31 8384.791 98744.075 12105.156 12319.849 0.56_316.21 45926.656 74642.58 12499.25 25201.429 18331.253 10925.815 27236.601 20819.339 17113.679 24263.25 0.85_318.30 167786.991 168272.256 198829.246 358225.564 454613.898 309702.005 280056.725 405490.375 220960.271 171742.636 1.74_330.34 67787.109 111105.098 65819.58 110860.995 134871.319 94526.681 55664.307 108205.272 56037.814 71260.43 3.81_338.34 104487.848 169575.119 148205.813 108869.938 613827.874 109749.297 151049.76 234874.142 138579.92 601237.453 3.25_339.29 40312.287 60987.517 57528.901 58931.758 42535.683 38921.194 66807.756 74142.61 47091.292 68045.917 1.18_346.33 33959.727 32559.811 40853.431 70748.696 90447.514 62593.303 46300.163 74004.383 42379.81 35830.203 1.91_356.35 25251.426 30686.394 27845.388 46891.304 59234.681 40371.107 23330.953 49785.248 23695.637 25201.429 2.54_358.37 26071.965 57608.308 27545.406 29165.897 42309.226 32539.224 24945.562 29030.611 17210.732 23139.788 3.81_360.32 41865.135 68548.828 51520.438 32409.82 124024.911 38962.368 34412.641 70454.596 32101.015 135653.625 0.85_362.33 34071.485 31901.027 37274.234 67769.463 75248.426 54434.969 55617.251 73630.876 37859.493 31962.788 11.58_367.34 95944.243 100449.855 78968.791 110493.37 100758.66 67204.791 114754.879 118160.557 98449.975 83356.763 3.70_368.43 71072.206 96591.263 54570.255 85312.528 75245.485 91847.43 32706.861 55452.555 45503.152 41265.171 8.54_369.35 207855.175 33447.993 54437.91 13899.166 25357.302 73186.785 344838.132 194400.1 31577.517 11.89_369.35 3909056.619 4082005.065 3376085.658 4375793.319 4048833.526 2947664.306 4391724.716 4380051.887 4135498.914 4018950.025 1.74_374.36 18325.371 25507.293 21589.881 37333.054 50355.802 30251.126 23616.23 45514.916 20884.041 21660.465 0.59_384.77 68848.81 130024.551 22086.91 31089.311 24992.618 14769.702 30548.167 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12.38_1045.00_12.38_1027.98 947072.584 1234596.508 296135.172 1344239.929 1136552.391 175745.337 1498686.544 1454815.647 1290978.419 987596.623 12.16_1139.98_12.16_1135.02 60352.261 63555.01 40324.051 66693.057 62263.911 31280.476 76889.504 72933.859 62187.445 53282.097 12.21_1163.05_12.21_1168.01 215248.849 234706.505 127127.666 265642.884 243676.555 108093.514 278371.532 283524.164 230759.683 149411.623 5.61_1194.82_5.62_1199.78 9065676.615 11151613.22 6543116.213 13225832.87 8746601.643 6734095.93 15737746.86 17015558.42 9894065.144 9799711.982 5.05_1215.77_5.04_1210.81 1489704.73 1804174.096 1034255.588 2024790.27 1487272.523 976903.147 2592291.512 2416581.467 1639269.285 1592980.886 12.30_1219.11_12.30_1224.07 168689.878 191967.893 72551.529 211246.148 188388.696 72339.777 241785.492 226071.729 193894.248 47594.203 3.68_1241.61_3.68_1258.64 3887569.673 4180737.376 3928578.977 4370873.026 3880817.137 4294948.17 5156072.97 4578692.909 4295833.411 4278137.414 5.37_1280.85_5.37_1285.81 42259.229 59672.89 30133.486 76204.251 45909.01 26704.28 97635.318 109728.71 53352.681 48117.701 2.69_1290.63_2.69_1273.60 951857.591 241391.398 215195.911 130915.674 118960.509 311490.133 677144.663 124201.371 654610.721 161807.938 6.11_1342.93_6.11_1325.90 1095131.347 1018377.129 470624.702 1011024.629 635123.655 551346.329 1831578.334 1332161.242 1104116.102 802416.558 0.63_331.12_0.64_326.16 124060.203 146170.641 138847.551 173863.097 132486.168 143082.591 184944.785 185071.248 142229.701 175804.157 0.70_392.23_0.70_397.18 84262.591 96847.13 69234.081 166819.402 69836.986 96797.133 153964.291 224910.034 93970.832 191073.829 0.83_437.19_0.84_432.24 304278.801 302543.611 178171.662 273271.838 231559.635 272815.983 467630.764 251187.869 265337.02 181633.219 0.89_446.24_0.90_451.19 139229.881 191844.371 116245.966 241426.69 96914.773 179106.9 186500.574 189121.005 161075.629 246249.93 2.69_659.29_2.69_654.33 6348169.087 3506792.521 3305463.425 2702881.935 2580089.303 3962079.908 5620492.162 2618484.058 5469701.21 2950575.896 10.87_659.57_10.85_654.62 166892.927 111302.145 183894.848 122719.107 169839.809 158249.328 76627.755 64125.564 140829.785 152402.62 9.82_667.54_9.82_662.58 497981.884 475533.231 582706.212 312913.577 545211.403 641623.265 273957.091 194800.076 474806.804 565383.722 3.24_670.31_3.24_675.27 123851.392 43620.912 196808.779 39297.642 160372.73 466277.904 34065.603 17278.375 97955.887 42712.143 6.11_680.48_6.12_685.44 955354.44 999022.408 609686.946 1066386.013 783729.444 633506.105 1390448.921 1296248.691 991005.242 866089.208 11.59_722.68_11.59_727.64 170557.413 173042.558 134762.502 203214.277 167992.861 124351.362 199561.555 202558.434 169136.91 134271.355 11.60_866.82_11.61_871.77 39821.14 150949.766 75948.384 19072.385 341720.672 114987.218 122404.42 27960.087 326612.755 922071.143 9.64_880.72_9.64_885.67 74751.397 132442.053 282238.947 81906.85 200611.492 188403.401 18160.675 53890.884 228236.305 5.01_909.55_5.01_904.59 96817.72 110452.196 87977.074 90747.496 79801.094 80245.185 91512.156 49052.939 80568.695 77498.291 5.05_913.58_5.04_930.61 49711.723 43288.579 49964.649 48461.798 37183.063 47220.696 34403.818 23560.351 41482.805 42109.238 12.01_922.88_12.00_927.83 41141.649 77712.984 44150.292 19654.703 140768.024 77804.155 71489.828 31021.668 118342.899 148879.302 11.86_934.88_11.86_939.84 57723.007 73054.44 118866.397 13128.624 118995.801 59146.451 50620.492 13410.96 155314.21 355049.284 12.11_950.91_12.11_955.86 34439.11 86071.306 37747.735 17254.847 176383.534 97105.938 90838.667 47964.769 137585.862 133577.279 2.69_972.98_2.69_977.94 380183.07 130103.958 112234.442 72833.865 64699.059 171316.191 320424.891 67804.755 295923.42 88141.77 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Identifier m/z RT Adduct InChI Key Molecular Formula CE (16:1) 10.57_645.56_10.58_640.60 645.5578_640.6025 10.5735 [M+Na]+_[M+NH4]+ HODJWNWCVNUPAQ-FSAOOAOSSA-N C43H74O2 CE (18:1) 11.11_673.59_11.11_668.63 673.5872_668.6336 11.108 [M+Na]+_[M+NH4]+ RJECHNNFRHZQKU-RMUVNZEASA-N C45H78O2 CE (18:2) 10.65_671.57_10.66_666.62 671.5733_666.6180 10.656 [M+Na]+_[M+NH4]+ NAACPBBQTFFYQB-LJAITQKLSA-N C45H76O2 CE (18:3) 10.24_669.56_10.24_664.60 669.5582_664.6024 10.237 [M+Na]+_[M+NH4]+ FYMCIBHUFSIWCE-WVXFKAQASA-N C45H74O2 CE (20:3) 10.75_697.59_10.63_692.62 697.5887_692.6187 10.694 [M+Na]+_[M+NH4]+ XQWTZYBOKFFMKJ-HXQMAXTDSA-N C47H78O2 CE (20:4) 10.38_690.62_10.39_695.57 690.6164_695.5737 10.385 [M+NH4]+_[M+Na]+ IMXSFYNMSOULQS-BEDFLICRSA-N C47H76O2 CE (20:5) 9.97_693.56_9.98_688.60 693.5582_688.6026 9.9745 [M+Na]+_[M+NH4]+ XZFUGMCJZFRBKF-JIKDAPOUSA-N C47H74O2 CE (22:6) 10.14_719.57_10.15_714.62 719.5735_714.6181 10.147 [M+Na]+_[M+NH4]+ VOEVEGPMRIYYKC-HNJOWPRISA-N C49H76O2 Ceramide (d40:1) 7.90_644.59 644.5937 7.897 [M+Na]+ KEPQASGDXIEOIL-GLQCRSEXSA-N C40H79NO3 Ceramide (d42:1) 8.54_672.62 672.6195 8.537 [M+Na]+ ZJVVOYPTFQEGPH-AUTSUKAISA-N C42H83NO3 Ceramide (d42:2) 7.88_630.62_7.90_670.60 630.6173_670.6038 7.8875 [M+H-H2O]+_[M+Na]+ VJSBNBBOSZJDKB-KPEYJIHVSA-N C42H81NO3 CSH_posESI #002 4.72_719.56 719.5608 4.716 CSH_posESI #033 4.97_872.54 872.5389 4.966 CSH_posESI #034 4.90_896.54 896.5385 4.903 CSH_posESI #037 5.81_858.60 858.5977 5.812 CSH_posESI #040 5.50_865.57 865.5674 5.499 CSH_posESI #061 5.40_748.57 748.5675 5.401 CSH_posESI #062 5.64_1542.15 1542.1523 5.642 CSH_posESI #106 5.69_790.57 790.5712 5.694 CSH_posESI #109 A 11.02_929.80 929.8008 11.022 CSH_posESI #109 B 11.20_929.83 929.8296 11.204 CSH_posESI #122 5.25_1475.13 1475.1339 5.249 CSH_posESI #124 5.42_864.53 864.5291 5.425 CSH_posESI #130 6.96_903.65 903.6533 6.959 CSH_posESI #141 11.47_899.75 899.7517 11.467 CSH_posESI #155 6.04_824.60 824.6026 6.037 CSH_posESI #159 5.79_832.58 832.5826 5.788 CSH_posESI #196 11.08_897.74 897.7351 11.085 CSH_posESI #201 10.68_369.35 369.3521 10.679 CSH_posESI #203 11.48_925.76 925.7636 11.477 CSH_posESI #205 3.22_381.30 381.3001 3.223 CSH_posESI #214 11.37_931.85 931.845 11.373 CSH_posESI #215 10.41_808.74 808.7388 10.41 CSH_posESI #230 5.22_848.54 848.541 5.224 CSH_posESI #231 5.22_838.55 838.546 5.216 CSH_posESI #232 5.73_1162.86 1162.8565 5.73 CSH_posESI #261 5.22_1516.13 1516.1287 5.223 CSH_posESI #285 5.90_876.57 876.5711 5.897 CSH_posESI #286 5.22_1159.83 1159.8321 5.221 CSH_posESI #288 4.97_577.52 577.5188 4.97 CSH_posESI #290 5.89_866.54 866.5425 5.89 CSH_posESI #301 5.74_850.56 850.5635 5.735 CSH_posESI #303 5.42_874.55 874.5542 5.423 CSH_posESI #304 5.70_1533.11 1533.114 5.7 CSH_posESI #308 6.37_878.59 878.5866 6.369 CSH_posESI #310 10.66_1017.94 1017.9351 10.658 Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0) 4.97_862.62_4.97_884.60 862.6219_884.6050 4.9715 [M+H]+_[M+Na]+ HLIJNIKSBCIDGO-QKLMXXKVSA-N C46H87NO13 LPC (14:0) 1.09_468.31 468.3086 1.091 [M+H]+ VXUOFDJKYGDUJI-OAQYLSRUSA-N C22H46NO7P LPC (15:0) 1.33_482.32 482.3243 1.326 [M+H]+ RJZVWDTYEWCUAR-JOCHJYFZSA-N C23H48NO7P LPC (16:0) 1.62_496.34 496.3402 1.623 [M+H]+ ASWBNKHCZGQVJV-UHFFFAOYSA-N C24H50NO7P LPC (16:1) 1.22_494.32 494.3242 1.223 [M+H]+ LFUDDCMNKWEORN-ZXEGGCGDSA-N C24H48NO7P LPC (17:1) 1.46_508.34 508.3398 1.46 [M+H]+ XBGIMYLOTRDXPK-AGXIJRPPSA-N C25H50NO7P LPC (18:0) 2.41_524.37 524.3713 2.413 [M+H]+ IHNKQIMGVNPMTC-RUZDIDTESA-N C26H54NO7P LPC (18:1) 1.78_522.36_1.78_544.34 522.3557_544.3376 1.7785 [M+H]+_[M+Na]+ YAMUFBLWGFFICM-PTGWMXDISA-N C26H52NO7P LPC (18:2) 1.36_520.34 520.3394 1.359 [M+H]+ SPJFYYJXNPEZDW-FTJOPAKQSA-N C26H50NO7P LPC (18:3) 1.09_518.32 518.3241 1.089 [M+H]+ WKQNRCYKYCKESD-YVHLTTHBSA-N C26H48NO7P LPC (20:2) 1.98_548.37 548.3658 1.977 [M+H]+ YYQVCMMXPIJVHY-ZOIJLGJPSA-N C28H54NO7P LPC (20:3) 1.56_546.35 546.354 1.56 [M+H]+ BBNHCUBQEQJHIG-FZZJNMCHSA-N C28H52NO7P LPC (22:4) 1.80_572.37 572.3694 1.801 [M+H]+ ZOJBSSVHFSBHMP-JJJSWPRASA-N C30H54NO7P LPC (22:5) 1.43_570.35 570.3546 1.428 [M+H]+ YBUXFQUGNPBZPS-YNBHEIDWSA-N C30H52NO7P LPC (22:6) 1.27_568.34 568.3385 1.266 [M+H]+ LSOWKZULVQWMLY-APPDJCNMSA-N C30H50NO7P LPC (o-16:0) 1.90_482.36 482.36 1.898 [M+H]+ VLBPIWYTPAXCFJ-XMMPIXPASA-N C24H52NO6P LPC (p-16:0) or LPC (o-16:1) 1.83_480.34 480.3446 1.834 [M+H]+ PLQWZMJRHVARFU-NFPSEPLVSA-N C24H50NO6P LPC (p-18:0) or LPC (o-18:1) 2.06_508.38 508.3758 2.057 [M+H]+ XWYSLMAMRKYUFH-HTOVTZSWSA-N C26H54NO6P PC (28:0) 4.45_678.52 678.5216 4.448 [M+H]+ CITHEXJVPOWHKC-UUWRZZSWSA-N C36H72NO8P PC (30:0) 5.03_706.56 706.5623 5.026 [M+H]+ RFVFQQWKPSOBED-PSXMRANNSA-N C38H76NO8P PC (31:0) 5.24_720.56 720.5597 5.236 [M+H]+ LLHISNQVRRYJGL-DIPNUNPCSA-N C39H78NO8P PC (32:0) 5.66_734.57 734.5716 5.657 [M+H]+ KILNVBDSWZSGLL-KXQOOQHDSA-N C40H80NO8P PC (32:1) 5.08_732.56 732.556 5.077 [M+H]+ QIBZFHLFHCIUOT-NPBIGWJUSA-N C40H78NO8P PC (32:2) 4.64_730.54 730.5407 4.641 [M+H]+ GPWHCUUIQMGELX-VHQDNGOZSA-N C40H76NO8P PC (32:3) 5.06_728.56 728.5551 5.061 [M+H]+ UXEFXNOSLOCOLX-ZCHSEWAGSA-N C40H74NO8P PC (33:0) 5.89_748.59 748.5894 5.89 [M+H]+ SKPMPGXBXHJZPS-LDLOPFEMSA-N C41H82NO8P PC (33:1) 5.40_746.57 746.5697 5.403 [M+H]+ WUSDPFVBZAKNBL-IMZFPPOWSA-N C41H80NO8P PC (33:2) 4.93_744.56 744.5594 4.931 [M+H]+ SBNDHGBVMZMSNL-UESLNCBNSA-N C41H78NO8P PC (34:0) 6.33_762.61 762.6086 6.327 [M+H]+ PZNPLUBHRSSFHT-RRHRGVEJSA-N C42H84NO8P PC (34:2) 5.22_758.57_5.23_780.58 758.5735_780.5751 5.2245 [M+H]+_[M+Na]+ JLPULHDHAOZNQI-ZTIMHPMXSA-N C42H80NO8P PC (34:3) 4.79_756.56 756.5583 4.794 [M+H]+ SSQFWAKSSUYHFV-YVTPCJIFSA-N C40H80NO8P PC (34:4) 4.50_754.54 754.5381 4.503 [M+H]+ BXZPYXMUABUWBT-JAHIUHDMSA-N C42H76NO8P PC (35:1) 6.07_774.60 774.6022 6.07 [M+H]+ VATZLDBYQIOABD-HFWGUVFESA-N C43H84NO8P PC (35:2) 5.53_772.59 772.5876 5.528 [M+H]+ LNGBVAOHJZCRIL-GPDPEMMZSA-N C43H82NO8P PC (35:3) 5.06_770.57 770.5741 5.065 [M+H]+ CWPIHLOOVWJHLK-HEQWELKFSA-N C43H80NO8P PC (36:1) 6.40_788.62 788.6154 6.402 [M+H]+ ATHVAWFAEPLPPQ-VRDBWYNSSA-N C44H86NO8P PC (36:2) 5.88_786.60 786.5989 5.882 [M+H]+ SNKAWJBJQDLSFF-NVKMUCNASA-N C44H84NO8P PC (36:3) 5.42_784.59 784.5872 5.416 [M+H]+ BXRLDROZWDUSGM-ZRYFCQOPSA-N C44H82NO8P PC (36:4) A 5.06_782.57 782.5708 5.058 [M+H]+ SMNBWWUNQGASFC-MLQXCARSSA-N C44H80NO8P PC (36:4) B 5.73_782.58 782.5834 5.731 [M+H]+ AHEPKIJTHGCAOA-KEPRVZTLSA-N C44H80NO8P PC (36:5) 4.72_780.55 780.5534 4.716 [M+H]+ KKRYRHYMXROGPM-SOVKMKKSSA-N C44H78NO8P PC (37:2) 6.22_800.62 800.6176 6.219 [M+H]+ MCZUABDVGPPWPM-HJTCUGKVSA-N C45H86NO8P PC (37:3) 5.73_798.60 798.6048 5.735 [M+H]+ OOYQEEUUQRMQKL-JUUDQZDJSA-N C45H84NO8P PC (37:4) 5.41_796.59 796.5908 5.409 [M+H]+ QRPUCJXFPYFTMB-FBFLODOBSA-N C45H82NO8P PC (38:3) 6.06_812.62 812.6168 6.06 [M+H]+ KJDCENXZHMAYTN-VHWCKNCUSA-N C46H86NO8P PC (38:4) 6.38_810.60 810.6044 6.376 [M+H]+ DNYKSJQVBCVGOF-LCKGXUDJSA-N C46H84NO8P PC (38:5) 5.31_808.59 808.5866 5.313 [M+H]+ STHWQCYHQJBDDB-SYONOARRSA-N C46H82NO8P PC (38:6) 4.91_806.57 806.5672 4.909 [M+H]+ PLZBTDKJYHXIEW-DZUXOTHRSA-N C46H80NO8P PC (38:7) 4.58_804.58 804.5785 4.583 [M+H]+ DLRNZUPJXRVWRW-FKZZUUMNSA-N C46H78NO8P PC (40:4) 6.53_838.63 838.6348 6.534 [M+H]+ YVFBVKJWPMCQQG-NRICRUJBSA-N C48H88NO8P PC (40:5) 5.81_836.61 836.6141 5.805 [M+H]+ UCKDHIBTSOLZAW-OMGITNNSSA-N C48H86NO8P PC (40:6) 5.58_834.60 834.598 5.577 [M+H]+ UCQTXWKYRXXLSS-BLDRONNASA-N C48H84NO8P PC (40:8) 4.67_830.58 830.5763 4.672 [M+H]+ GMBDNBJQWYLJGW-DKFCTBDHSA-N C48H80NO8P PC (42:6) 6.21_862.63 862.6266 6.209 [M+H]+ DSVRMAGYENFTLY-GDDYDVMSSA-N C50H88NO8P PC (42:7) 5.91_860.61 860.6118 5.91 [M+H]+ FYVDGOCCFDKYOR-OEQCKVCZSA-N C50H86NO8P PC (o-32:0) 6.06_720.59 720.587 6.062 [M+H]+ C40H82NO7P PC (o-34:0) 6.75_748.62 748.62 6.749 [M+H]+ C42H86NO7P PC (p-32:0) or PC (o-32:1) 5.96_718.57 718.5733 5.963 [M+H]+ C40H80NO7P PC (p-34:0) or PC (o-34:1) 6.13_746.60 746.6043 6.132 [M+H]+ C41H80NO8P PC (p-34:1) or PC (o-34:2) 6.03_744.59 744.5873 6.027 [M+H]+ C42H82NO7P PC (p-34:2) or PC (o-34:3) 5.50_742.57 742.5731 5.499 [M+H]+ C42H80NO7P PC (p-36:1) or PC (o-36:2) 6.21_772.62 772.6183 6.214 [M+H]+ C44H86NO7P PC (p-36:2) or PC (o-36:3) 5.85_770.60 770.5985 5.848 [M+H]+ C44H84NO7P PC (p-36:3) or PC (o-36:4) 5.65_768.58 768.5839 5.646 [M+H]+ C44H82NO7P PC (p-36:4) or PC (o-36:5) 5.39_766.57 766.5719 5.39 [M+H]+ C44H80NO7P PC (p-38:3) or PC (o-38:4) 6.10_796.60_6.11_796.61 796.5978_796.6099 6.101 [M+H]+_[M+H]+ C46H86NO7P PC (p-38:4) or PC (o-38:5) 5.54_794.60 794.5984 5.537 [M+H]+ C46H84NO7P PC (p-38:5) or PC (o-38:6) 5.42_792.59_5.52_792.58 792.5859_792.5845 5.47 [M+H]+_[M+H]+ C46H82NO7P PC (p-40:3) or PC (o-40:4) 6.76_824.63 824.6284 6.756 [M+H]+ C48H90NO7P PC (p-40:4) or PC (o-40:5) 6.20_822.63 822.6286 6.199 [M+H]+ C48H88NO7P PC (p-40:5) or PC (o-40:6) 6.04_820.61 820.6148 6.038 [M+H]+ C48H86NO7P PC (p-40:6) A or PC (o-40:7) A 5.41_818.58 818.5849 5.413 [M+H]+ C48H84NO7P PC (p-40:6) B or PC (o-40:7) B 6.10_818.62 818.617 6.098 [M+H]+ C48H84NO7P PC (p-40:7) or PC (o-40:8) 5.54_816.60 816.599 5.545 [M+H]+ C48H82NO7P PC (p-42:4) or PC (o-42:5) 6.86_850.66 850.6645 6.861 [M+H]+ C50H92NO7P PC (p-42:5) or PC (o-42:6) 6.36_848.62_6.37_848.65 848.6158_848.6529 6.363 [M+H]+_[M+H]+ C49H86NO8P PE (34:3) 4.78_714.54 714.542 4.776 [M+H]+ SSRRIJSEUKHYFB-DFCPKGTFSA-N C39H72NO8P PE (p-36:4) or PE (o-36:5) 5.59_724.53 724.5277 5.585 [M+H]+ C41H74NO7P PE (p-38:4) or PE (o-38:5) 6.19_752.56 752.5552 6.193 [M+H]+ C43H78NO7P SM (d30:1) 3.74_647.51 647.5113 3.742 [M+H]+ C35H71N2O6P SM (d32:0) 4.47_677.56 677.5566 4.472 [M+H]+ C37H77N2O6P SM (d32:1) 4.30_675.54 675.5429 4.299 [M+H]+ KYICBZWZQPCUMO-PSALXKTOSA-N C37H75N2O6P SM (d32:2) 3.83_673.53 673.5265 3.834 [M+H]+ C37H73N2O6P SM (d33:1) 4.60_689.56 689.5564 4.603 [M+H]+ LQINJRUGTUOHGS-YPDYIYJKSA-N C38H77N2O6P SM (d34:1) 4.93_703.57 703.5729 4.926 [M+H]+ RWKUXQNLWDTSLO-GWQJGLRPSA-N C39H79N2O6P SM (d34:2) 4.40_701.56 701.5571 4.397 [M+H]+ YLWSJLLZUHSIEA-CKSUKHGVSA-N C39H77N2O6P SM (d36:1) 5.59_731.59 731.592 5.587 [M+H]+ LKQLRGMMMAHREN-YJFXYUILSA-N C41H83N2O6P SM (d36:3) 4.64_727.56 727.5598 4.636 [M+H]+ C41H79N2O6P SM (d38:1) 6.28_759.62 759.6206 6.279 [M+H]+ AADLTHQNYQJHQV-SVLGDMRNSA-N C43H87N2O6P SM (d39:1) 6.67_773.64 773.6438 6.671 [M+H]+ YXSZOBWVQJIWNE-LUJNSPTCSA-N C44H89N2O6P SM (d40:1) 7.00_787.67 787.6679 6.996 [M+H]+ FJJANLYCZUNFSE-QVMKKYBKSA-N C45H91N2O6P SM (d40:2) 6.33_785.65 785.6511 6.325 [M+H]+ C45H89N2O6P SM (d41:1) 7.33_801.68 801.6832 7.332 [M+H]+ SXZWBNWTCVLZJN-ZIHSGIAZSA-N C46H93N2O6P SM (d41:2) 6.75_799.67 799.6668 6.752 [M+H]+ JBDGKEXQKCCQFK-JWQIMADESA-N C46H91N2O6P SM (d42:1) 7.66_815.70 815.698 7.664 [M+H]+ QEDPUVGSSDPBMD-XTAIVQBESA-N C47H95N2O6P SM (d42:2) 6.96_813.68 813.6836 6.964 [M+H]+ DACOGJMBYLZYDH-GXJPFUDISA-N C47H93N2O6P SM (d42:3) 6.37_811.63 811.6267 6.37 [M+H]+ TXFLWJQVQCDUDZ-BRUGZULGSA-N C47H91N2O6P SM (d43:1) 7.85_829.71 829.7135 7.853 [M+H]+ C48H97N2O6P SM (d43:2) 7.18_827.70 827.6986 7.183 [M+H]+ C48H95N2O6P SM (d44:2) 7.75_841.71 841.714 7.745 [M+H]+ C49H97N2O6P TG (14:0/14:0/14:0) 9.85_745.64 745.6422 9.851 [M+Na]+ C45H86O6 TG (46:0) 10.64_796.74 796.7383 10.636 [M+NH4]+ JWVXCFSNEOMSHH-UHFFFAOYSA-N C49H94O6 TG (46:1) 10.19_794.72 794.7211 10.191 [M+NH4]+ RSDIQTNCDWUNDP-VHXPQNKSSA-N C49H92O6 TG (48:0) A 11.01_829.73 829.7252 11.005 [M+Na]+ PVNIQBQSYATKKL-UHFFFAOYSA-N C51H98O6 TG (48:0) B 11.04_824.77 824.7694 11.044 [M+NH4]+ PVNIQBQSYATKKL-UHFFFAOYSA-N C51H98O6 TG (48:1) 10.67_822.75_10.67_827.71 822.7541_827.7097 10.667 [M+NH4]+_[M+Na]+ FEKLSEFRUGWUOS-DLOIZKPKSA-N C51H96O6 TG (48:2) 10.27_820.74_10.29_825.69 820.7389_825.6946 10.2775 [M+NH4]+_[M+Na]+ RUOVJPPUXXFZPC-YZEIBMOJSA-N C51H94O6 TG (49:0) 11.20_838.79_11.22_843.74 838.7851_843.7410 11.209 [M+NH4]+_[M+Na]+ TTWJTJMWHOYBPQ-ANFMRNGASA-N C52H100O6 TG (49:1) 10.85_836.77 836.7696 10.851 [M+NH4]+ VYYGQDOPVVYUKW-UKFBYESTSA-N C52H98O6 TG (49:2) 10.45_834.75 834.7542 10.448 [M+NH4]+ QZYSUBAQYSVFNX-PSMULLBHSA-N C52H96O6 TG (50:0) 11.43_857.76_11.43_852.80 857.7557_852.7993 11.4285 [M+Na]+_[M+NH4]+ QRJMBNGGFSPTQP-UHFFFAOYSA-N C53H102O6 TG (50:1) 11.04_855.74_11.06_850.78 855.7410_850.7845 11.0535 [M+Na]+_[M+NH4]+ YHMDGPZOSGBQRH-YYSBDVFPSA-N C53H100O6 TG (50:2) 10.70_848.77_10.71_853.73 848.7698_853.7256 10.706 [M+NH4]+_[M+Na]+ QEZWFCZNHWUARW-XQCAQTCHSA-N C53H98O6 TG (50:3) 10.30_846.75_10.33_851.71 846.7536_851.7094 10.3155 [M+NH4]+_[M+Na]+ UFHNZOACKFBCOM-YXKNDSBASA-N C53H96O6 TG (50:4) 9.94_844.74 844.7386 9.939 [M+NH4]+ PVMBAGXWHHZKFP-JMPJWMFJSA-N C53H94O6 TG (51:1) 11.25_864.80 864.801 11.251 [M+NH4]+ OZAXLAGNPZMZAD-BOEMPQCLSA-N C54H102O6 TG (51:2) 10.88_862.79_10.91_867.74 862.7854_867.7418 10.896 [M+NH4]+_[M+Na]+ NSNSZGBCOIKUBU-SZOKBDNISA-N C54H100O6 TG (51:3) 10.52_860.77 860.7694 10.521 [M+NH4]+ ISSGPXMQOMAFMJ-DMGKHJLRSA-N C54H98O6 TG (52:0) 11.79_885.79_11.79_880.83 885.7873_880.8289 11.7885 [M+Na]+_[M+NH4]+ SDNYRTVJOFMYIW-OIVUAWODSA-N C55H106O6 TG (52:1) 11.46_878.81_11.46_883.77 878.8142_883.7711 11.463 [M+NH4]+_[M+Na]+ NPCZZYKITFKRQZ-RFBIWTDZSA-N C55H104O6 TG (52:2) 11.06_881.76_11.08_876.80 881.7568_876.7992 11.068 [M+Na]+_[M+NH4]+ JFISYPWOVQNHLS-NBHCHVEOSA-N C55H102O6 TG (52:3) 10.72_874.79_10.73_879.74 874.7852_879.7413 10.7275 [M+NH4]+_[M+Na]+ KGLAHZTWGPHKFF-FBSASISJSA-N C55H100O6 TG (52:4) 10.35_872.77_10.36_877.73 872.7693_877.7250 10.354 [M+NH4]+_[M+Na]+ WHSWXEYWNPTUPW-HNJDVRDNSA-N C55H98O6 TG (52:5) 10.02_875.71_9.98_870.75 875.71_870.753 9.9975 [M+Na]+_[M+NH4]+ CQZAAIKPSLHIBC-KDJOUNIJSA-N C55H96O6 TG (53:1) 11.61_892.83_11.64_897.79 892.8324_897.7884 11.624 [M+NH4]+_[M+Na]+ WWJIBIGWKGFVAQ-JNSYTQKUSA-N C56H106O6 TG (53:2) 11.26_890.80_11.29_895.78 890.7996_895.7755 11.2715 [M+NH4]+_[M+Na]+ RSINITWKVQRWSZ-RFVLVDBCSA-N C56H104O6 TG (53:3) 10.94_893.76_10.91_888.80 893.7575_888.8005 10.9255 [M+Na]+_[M+NH4]+ ZNQBEJJYVJSZLM-LEDQTTRKSA-N C56H102O6 TG (53:4) 10.56_886.78 886.7842 10.557 [M+NH4]+ BMSDHYZLQWTKSQ-LSJAAEOESA-N C56H100O6 TG (54:1) 11.80_911.80_11.80_906.85 911.8046_906.8462 11.797 [M+Na]+_[M+NH4]+ YFFIQXNTTVSKJC-NZEOUKRFSA-N C57H108O6 TG (54:2) 11.47_904.83_11.47_909.79 904.8292_909.7876 11.4745 [M+NH4]+_[M+Na]+ RYNHWWNZNIGDAQ-WGSDILPMSA-N C57H106O6 TG (54:3) 11.10_902.81_11.12_907.77 902.8140_907.7735 11.1115 [M+NH4]+_[M+Na]+ PHYFQTYBJUILEZ-IUPFWZBJSA-N C57H104O6 TG (54:4) 10.86_905.76_10.74_900.80 905.7628_900.7996 10.8035 [M+Na]+_[M+NH4]+ BRLGHZXETDWABO-NOFIOOQLSA-N C57H102O6 TG (54:5) 10.38_898.78_10.41_903.74 898.7844_903.7407 10.3955 [M+NH4]+_[M+Na]+ VVEBTVMJPTZDHO-YQFZQLSNSA-N C57H100O6 TG (54:6) 10.07_901.73 901.7262 10.066 [M+Na]+ HBOQXIRUPVQLKX-BBWANDEASA-N C57H98O6 TG (55:3) 11.55_921.82 921.8172 11.55 [M+Na]+ AFJMFAQYZRZRJI-TYSGSQAUSA-N C58H110O6 TG (56:2) A 11.95_937.86 937.8583 11.955 [M+Na]+ PDEQUPGHMOMBFC-FYEHETCMSA-N C59H110O6 TG (56:2) B 11.77_932.86 932.8637 11.768 [M+NH4]+ PDEQUPGHMOMBFC-FYEHETCMSA-N C59H110O6 TG (56:3) 11.48_935.82_11.40_930.84 935.8181_930.843 11.4415 [M+Na]+_[M+NH4]+ QXMHHXQBBKDSSL-BAQZNRHJSA-N C59H108O6 TG (56:4) 11.17_928.83 928.8284 11.174 [M+NH4]+ YONCDTJKIZDSKQ-IYASBODOSA-N C59H106O6 TG (56:5) 10.92_926.82_10.94_931.78 926.8160_931.7752 10.93 [M+NH4]+_[M+Na]+ UHEJWASONFIROS-YPSHDQQVSA-N C59H104O6 TG (56:6) A 10.64_924.81 924.8066 10.645 [M+NH4]+ ZTNDRFCABXFVMY-WJTCTALZSA-N C59H102O6 TG (56:6) B 10.79_929.77_10.82_924.81 929.7724_924.8134 10.8035 [M+Na]+_[M+NH4]+ ZTNDRFCABXFVMY-WJTCTALZSA-N C59H102O6 TG (56:7) 10.21_922.79 922.7866 10.208 [M+NH4]+ DODZUDCYRVWEOJ-GKZBLMSTSA-N C59H100O6 TG (58:1) 12.07_967.87_12.07_962.91 967.8666_962.9089 12.072 [M+Na]+_[M+NH4]+ OWZMHFAFGQCCNI-FBXRAONGSA-N C61H116O6 TG (58:2) 12.10_965.88_11.96_960.89 965.8766_960.8905 12.0295 [M+Na]+_[M+NH4]+ GXWBCAVCOMAOHT-VMCJOIRWSA-N C61H114O6 TG (58:3) 12.01_963.85 963.8545 12.006 [M+Na]+ RFMSTHTUAZETPD-JJPHLYBUSA-N C61H112O6 TG (58:6) 11.04_957.79_11.14_952.84 957.792_952.8447 11.0915 [M+Na]+_[M+NH4]+ GSNFRUMSEHHPSY-LCXCSEBNSA-N C61H106O6 TG (60:2) 12.17_993.90_12.07_988.92 993.8968_988.9243 12.12 [M+Na]+_[M+NH4]+ QPNVLDQSHXVPMG-JMYPUKFOSA-N C63H118O6 0.51_114.07 0.51_114.07 114.0664 0.514 0.50_132.08 0.50_132.08 132.0776 0.502 0.53_136.05 0.53_136.05 136.0483 0.527 12.46_186.06 12.46_186.06 186.0579 12.46 0.62_202.09 0.62_202.09 202.0864 0.616 0.52_202.18 0.52_202.18 202.18 0.517 0.69_212.02 0.69_212.02 212.0198 0.695 0.61_218.21 0.61_218.21 218.2111 0.607 0.50_221.17 0.50_221.17 221.1703 0.503 3.10_221.17 3.10_221.17 221.1746 3.097 2.98_228.20 2.98_228.20 228.1959 2.983 0.50_243.18 0.50_243.18 243.1829 0.505 3.10_244.19 3.10_244.19 244.1908 3.096 0.69_246.24 0.69_246.24 246.2426 0.686 0.69_250.18 0.69_250.18 250.1777 0.693 3.52_261.15 3.52_261.15 261.1493 3.523 0.61_262.24 0.61_262.24 262.2372 0.607 1.16_267.19 1.16_267.19 267.1853 1.162 0.85_274.27 0.85_274.27 274.2742 0.85 0.73_279.09 0.73_279.09 279.0937 0.73 1.90_284.33 1.90_284.33 284.3313 1.896 1.17_302.31 1.17_302.31 302.3054 1.173 0.72_304.26 0.72_304.26 304.264 0.717 1.01_310.24 1.01_310.24 310.2384 1.013 0.56_316.21 0.56_316.21 316.2118 0.564 0.85_318.30 0.85_318.30 318.3014 0.851 1.74_330.34 1.74_330.34 330.3368 1.736 3.81_338.34 3.81_338.34 338.3418 3.806 3.25_339.29 3.25_339.29 339.2895 3.245 1.18_346.33 1.18_346.33 346.3317 1.181 1.91_356.35 1.91_356.35 356.3523 1.912 2.54_358.37 2.54_358.37 358.3678 2.539 3.81_360.32 3.81_360.32 360.324 3.811 0.85_362.33 0.85_362.33 362.3263 0.852 11.58_367.34 11.58_367.34 367.3361 11.58 3.70_368.43 3.70_368.43 368.4251 3.702 8.54_369.35 8.54_369.35 369.3517 8.536 11.89_369.35 11.89_369.35 369.3518 11.885 1.74_374.36 1.74_374.36 374.3626 1.739 0.59_384.77 0.59_384.77 384.7722 0.586 2.98_408.31 2.98_408.31 408.3088 2.984 0.83_415.21 0.83_415.21 415.2119 0.834 3.23_417.34 3.23_417.34 417.3384 3.232 2.99_424.28 2.99_424.28 424.2827 2.985 0.88_425.23 0.88_425.23 425.2282 0.883 4.56_427.82 4.56_427.82 427.8174 4.564 2.98_430.37 2.98_430.37 430.3656 2.982 2.84_430.39 2.84_430.39 430.387 2.842 0.60_434.78 0.60_434.78 434.7806 0.602 4.39_439.38 4.39_439.38 439.3782 4.388 3.93_441.30 3.93_441.30 441.2978 3.931 0.66_441.79 0.66_441.79 441.7876 0.661 2.99_444.38 2.99_444.38 444.3799 2.991 0.76_450.27 0.76_450.27 450.273 0.761 1.19_452.31 1.19_452.31 452.3137 1.187 4.73_452.52 4.73_452.52 452.5188 4.729 0.83_453.17 0.83_453.17 453.17 0.834 0.83_459.25 0.83_459.25 459.249 0.832 4.50_469.33 4.50_469.33 469.3298 4.5 4.73_472.49 4.73_472.49 472.4876 4.727 0.83_473.26 0.83_473.26 473.2649 0.835 3.62_483.38 3.62_483.38 483.3771 3.615 0.52_485.36 0.52_485.36 485.358 0.518 1.44_488.31 1.44_488.31 488.3076 1.444 3.26_489.28 3.26_489.28 489.2801 3.259 4.37_495.34 4.37_495.34 495.3448 4.37 5.53_500.52 5.53_500.52 500.5188 5.531 1.01_504.28 1.01_504.28 504.2808 1.007 3.59_505.39 3.59_505.39 505.39 3.592 2.78_510.39 2.78_510.39 510.3901 2.781 3.19_513.39 3.19_513.39 513.3871 3.191 1.62_518.32 1.62_518.32 518.3222 1.624 0.51_521.34 0.51_521.34 521.3351 0.51 5.81_522.60 5.81_522.60 522.597 5.806 5.20_526.52 5.20_526.52 526.5189 5.199 3.57_527.40 3.57_527.40 527.4032 3.574 4.66_531.41 4.66_531.41 531.408 4.655 1.99_532.34 1.99_532.34 532.3378 1.989 1.62_534.30 1.62_534.30 534.2988 1.623 3.18_535.40 3.18_535.40 535.4001 3.178 8.62_536.44 8.62_536.44 536.4378 8.623 6.01_537.40 6.01_537.40 537.395 6.013 6.06_537.53 6.06_537.53 537.5349 6.057 2.85_538.39 2.85_538.39 538.3871 2.854 5.85_538.52 5.85_538.52 538.5198 5.848 1.10_540.31 1.10_540.31 540.3059 1.097 1.36_542.32 1.36_542.32 542.3219 1.36 2.42_546.35 2.42_546.35 546.3534 2.416 1.42_548.34 1.42_548.34 548.3372 1.423 7.00_548.50 7.00_548.50 548.5036 6.999 3.56_549.42 3.56_549.42 549.4164 3.555 1.86_550.35 1.86_550.35 550.3509 1.855 6.01_550.63 6.01_550.63 550.6283 6.014 6.47_551.63 6.47_551.63 551.6316 6.472 2.66_552.40 2.66_552.40 552.4024 2.661 4.66_553.39 4.66_553.39 553.3897 4.655 7.06_553.45 7.06_553.45 553.4481 7.061 2.96_554.18 2.96_554.18 554.1759 2.964 6.93_554.55 6.93_554.55 554.5499 6.93 5.98_554.55 5.98_554.55 554.5505 5.978 3.17_557.41 3.17_557.41 557.4133 3.166 1.78_560.31 1.78_560.31 560.3114 1.778 2.41_562.33 2.41_562.33 562.3272 2.414 3.47_568.43 3.47_568.43 568.4289 3.473 6.97_569.43 6.97_569.43 569.4333 6.972 3.54_571.43 3.54_571.43 571.4297 3.539 2.67_574.38 2.67_574.38 574.3841 2.665 3.16_579.43 3.16_579.43 579.4263 3.156 5.67_579.53 5.67_579.53 579.5349 5.671 6.77_582.58 6.77_582.58 582.5817 6.77 0.55_585.37 0.55_585.37 585.3741 0.554 1.62_586.31 1.62_586.31 586.309 1.622 6.79_587.55 6.79_587.55 587.5484 6.795 3.52_593.44 3.52_593.44 593.4427 3.521 6.20_596.57 6.20_596.57 596.5726 6.197 0.59_599.39 0.59_599.39 599.3893 0.585 1.99_600.32 1.99_600.32 600.3248 1.989 3.15_601.44 3.15_601.44 601.4398 3.145 5.08_603.53 5.08_603.53 603.5344 5.085 5.44_605.32 5.44_605.32 605.3158 5.436 5.55_605.55 5.55_605.55 605.5493 5.552 6.11_607.39 6.11_607.39 607.3908 6.114 4.21_608.47 4.21_608.47 608.4653 4.212 6.20_610.59 6.20_610.59 610.5876 6.202 1.78_612.32 1.78_612.32 612.3246 1.776 2.42_614.34 2.42_614.34 614.3405 2.419 5.03_614.60 5.03_614.60 614.5976 5.034 3.50_615.45 3.50_615.45 615.4548 3.504 7.96_619.51 7.96_619.51 619.5063 7.957 3.14_623.45 3.14_623.45 623.4526 3.136 6.79_623.62 6.79_623.62 623.619 6.788 5.44_627.30 5.44_627.30 627.2974 5.442 5.01_627.53 5.01_627.53 627.5346 5.006 3.37_628.19 3.37_628.19 628.1943 3.371 5.28_629.55 5.28_629.55 629.55 5.278 2.69_637.31 2.69_637.31 637.3056 2.693 3.50_637.47 3.50_637.47 637.4684 3.499 5.40_640.59 5.40_640.59 640.5879 5.405 5.10_642.63 5.10_642.63 642.6291 5.096 10.14_643.54 10.14_643.54 643.5429 10.141 3.12_645.47 3.12_645.47 645.4663 3.123 8.17_645.56 8.17_645.56 645.5603 8.166 7.80_647.46 7.80_647.46 647.4589 7.796 10.24_647.58 10.24_647.58 647.5754 10.238 10.66_649.59 10.66_649.59 649.591 10.662 5.05_653.55 5.05_653.55 653.55 5.047 10.48_657.56 10.48_657.56 657.5578 10.481 3.48_659.48 3.48_659.48 659.4817 3.476 12.38_659.63 12.38_659.63 659.6331 12.377 4.46_660.50 4.46_660.50 660.496 4.458 4.01_661.53 4.01_661.53 661.5266 4.013 9.62_661.55 9.62_661.55 661.5549 9.616 9.96_663.57 9.96_663.57 663.5743 9.96 6.11_664.46 6.11_664.46 664.4579 6.113 6.19_665.49 6.19_665.49 665.4876 6.189 6.70_666.64 6.70_666.64 666.6385 6.698 6.07_668.62 6.07_668.62 668.6185 6.071 2.76_674.46 2.76_674.46 674.4624 2.764 3.81_675.68 3.81_675.68 675.6755 3.808 4.89_676.53 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1534.175 5.844 5.74_1535.16 5.74_1535.16 1535.1636 5.743 5.22_1538.13 5.22_1538.13 1538.126 5.223 5.26_1539.13 5.26_1539.13 1539.1294 5.258 5.69_1543.16 5.69_1543.16 1543.1619 5.693 5.73_1546.11 5.73_1546.11 1546.1118 5.728 5.74_1546.15 5.74_1546.15 1546.1528 5.742 5.39_1552.14 5.39_1552.14 1552.1438 5.393 5.69_1555.11 5.69_1555.11 1555.1114 5.685 5.44_1556.16 5.44_1556.16 1556.1599 5.439 5.74_1556.17 5.74_1556.17 1556.1678 5.744 5.72_1558.16 5.72_1558.16 1558.1632 5.716 6.53_1558.17 6.53_1558.17 1558.1736 6.528 5.67_1561.15 5.67_1561.15 1561.1454 5.671 5.74_1568.12 5.74_1568.12 1568.1207 5.743 5.42_1568.16 5.42_1568.16 1568.1586 5.421 5.74_1570.17 5.74_1570.17 1570.1721 5.744 5.41_1572.14 5.41_1572.14 1572.1416 5.41 5.88_1572.19 5.88_1572.19 1572.1904 5.881 11.23_1574.43 11.23_1574.43 1574.4255 11.23 6.40_1576.22 6.40_1576.22 1576.225 6.402 5.43_1578.16 5.43_1578.16 1578.1603 5.43 5.93_1582.19 5.93_1582.19 1582.1854 5.926 5.61_1584.18 5.61_1584.18 1584.1773 5.614 5.41_1590.14 5.41_1590.14 1590.1407 5.41 5.76_1592.16 5.76_1592.16 1592.1624 5.764 11.80_1593.45 11.80_1593.45 1593.4546 11.797 5.88_1594.67 5.88_1594.67 1594.6729 5.88 5.88_1595.18 5.88_1595.18 1595.1785 5.88 5.82_1597.19 5.82_1597.19 1597.1903 5.825 5.79_1598.20 5.79_1598.20 1598.1996 5.792 6.40_1598.71 6.40_1598.71 1598.7056 6.396 6.40_1599.21 6.40_1599.21 1599.2136 6.396 6.45_1602.23 6.45_1602.23 1602.2313 6.451 5.79_1610.14 5.79_1610.14 1610.1449 5.794 5.73_1611.14 5.73_1611.14 1611.1427 5.73 2.69_1614.23 2.69_1614.23 1614.2349 2.69 5.80_1619.18 5.80_1619.18 1619.1781 5.798 5.78_1620.19 5.78_1620.19 1620.186 5.78 5.76_1621.19 5.76_1621.19 1621.1897 5.756 5.93_1624.21 5.93_1624.21 1624.215 5.926 6.01_1626.23 6.01_1626.23 1626.2314 6.01 6.40_1632.70 6.40_1632.70 1632.7008 6.396 6.46_1633.23 6.46_1633.23 1633.2308 6.455 6.48_1633.28 6.48_1633.28 1633.2803 6.483 5.79_1643.18 5.79_1643.18 1643.1776 5.786 3.24_1646.17 3.24_1646.17 1646.1691 3.245 5.84_1646.20 5.84_1646.20 1646.2028 5.836 6.04_1648.21 6.04_1648.21 1648.2135 6.045 5.88_1663.17 5.88_1663.17 1663.1665 5.879 6.39_1666.19 6.39_1666.19 1666.1941 6.389 5.80_1669.19 5.80_1669.19 1669.1917 5.795 12.38_1045.00_12.38_1027.98 12.38_1045.00_12.38_1027.98 1045.004_1027.9771 12.378 12.16_1139.98_12.16_1135.02 12.16_1139.98_12.16_1135.02 1139.975_1135.0201 12.155 12.21_1163.05_12.21_1168.01 12.21_1163.05_12.21_1168.01 1163.0513_1168.0063 12.212 5.61_1194.82_5.62_1199.78 5.61_1194.82_5.62_1199.78 1194.8183_1199.7758 5.6185 5.05_1215.77_5.04_1210.81 5.05_1215.77_5.04_1210.81 1215.769_1210.8115 5.0425 12.30_1219.11_12.30_1224.07 12.30_1219.11_12.30_1224.07 1219.1126_1224.0692 12.301 3.68_1241.61_3.68_1258.64 3.68_1241.61_3.68_1258.64 1241.6134_1258.6400 3.6765 5.37_1280.85_5.37_1285.81 5.37_1280.85_5.37_1285.81 1280.8523_1285.8092 5.3685 2.69_1290.63_2.69_1273.60 2.69_1290.63_2.69_1273.60 1290.6289_1273.6017 2.6915 6.11_1342.93_6.11_1325.90 6.11_1342.93_6.11_1325.90 1342.9263_1325.8993 6.1145 0.63_331.12_0.64_326.16 0.63_331.12_0.64_326.16 331.1155_326.1604 0.6355 0.70_392.23_0.70_397.18 0.70_392.23_0.70_397.18 392.2280_397.1837 0.6985 0.83_437.19_0.84_432.24 0.83_437.19_0.84_432.24 437.1936_432.2386 0.8355 0.89_446.24_0.90_451.19 0.89_446.24_0.90_451.19 446.2392_451.1912 0.894 2.69_659.29_2.69_654.33 2.69_659.29_2.69_654.33 659.2874_654.3321 2.6915 10.87_659.57_10.85_654.62 10.87_659.57_10.85_654.62 659.5734_654.618 10.8615 9.82_667.54_9.82_662.58 9.82_667.54_9.82_662.58 667.5424_662.5828 9.822 3.24_670.31_3.24_675.27 3.24_670.31_3.24_675.27 670.3087_675.2723 3.239 6.11_680.48_6.12_685.44 6.11_680.48_6.12_685.44 680.4803_685.4356 6.1185 11.59_722.68_11.59_727.64 11.59_722.68_11.59_727.64 722.6801_727.6360 11.589 11.60_866.82_11.61_871.77 11.60_866.82_11.61_871.77 866.8162_871.7714 11.6035 9.64_880.72_9.64_885.67 9.64_880.72_9.64_885.67 880.7176_885.6731 9.6385 5.01_909.55_5.01_904.59 5.01_909.55_5.01_904.59 909.5462_904.5906 5.0095 5.05_913.58_5.04_930.61 5.05_913.58_5.04_930.61 913.5794_930.6061 5.047 12.01_922.88_12.00_927.83 12.01_922.88_12.00_927.83 922.8767_927.8307 12.0045 11.86_934.88_11.86_939.84 11.86_934.88_11.86_939.84 934.8774_939.8369 11.8575 12.11_950.91_12.11_955.86 12.11_950.91_12.11_955.86 950.9075_955.8645 12.109 2.69_972.98_2.69_977.94 2.69_972.98_2.69_977.94 972.9822_977.9380 2.6915 METABOLITES_END #END