#METABOLOMICS WORKBENCH efahy_20160115_125346 STUDY_ID:ST000324 ANALYSIS_ID:AN000517 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 80ºC. 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 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE 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 Ceramide (d34:1) 14439.64258 13777.77051 20706.10547 22157.05859 16517.8457 16033.55371 14595.95215 7731.506836 14557.98145 7705.047852 Ceramide (d41:1) 14350.63184 8979.729004 21879.61572 4180.770508 12566.43188 16163.9917 3200.611328 9164.505371 8542.695068 CSH_negESI #378 6030.09082 6525.658203 9317.536133 8667.623047 5753.837402 8394.932617 4350.199707 5547.596191 2969.964355 CSH_negESI #590 28566.06836 24691.81055 32680.74023 18421.70117 30958.84766 44962.78906 19010.61523 13524.19824 28947.20117 26521.24219 CSH_negESI #599 6223.648438 5624.444336 6111.631348 5103.166504 6581.633301 6146.965332 4690.347656 3118.025391 6209.222656 6755.312988 CSH_negESI #644 51814.85156 61264.47656 106019.2031 44953.24609 80506.76563 119091.1172 33805.46094 28229.35938 68757.73438 58823.73438 CSH_negESI #706 13015.25098 11973.56348 15025.71094 9700.367188 13923.3252 15036.36035 7878.828125 5278.005859 12905.11426 13205.28711 CSH_negESI #713 2561.493408 3885.287842 8214.081055 5004.10791 4959.820801 2162.23291 3222.770264 3488.968262 CSH_negESI #749 4416.47168 5088.967773 7682.498535 7004.654785 5048.626465 5143.129395 2629.586914 3744.333984 2693.351074 FA (16:1) (palmitoleic acid) 256562.3281 128668.8828 296754.4375 73997.85156 168901.5781 308729.7813 46539.17969 13483.79297 70045.67969 52605.46875 FA (17:1) (heptadecenoic acid) 77353.875 42329.9375 95425.88281 27840.25391 60686.97266 89429.61719 16057.52637 5392.660156 26808.9375 22676.69336 FA (18:1) (oleic acid) 3286667.25 2120822.5 3626942.5 1317646.75 2283876.25 3490025.5 1229296 258466.7188 1319654.5 1085237.875 FA (18:2) (linoleic acid) 294291.1875 239913.4844 436172.1563 156084.0781 328866.5 464355.2813 100683.8594 42078.95313 155915 310996.9688 FA (18:3) (linolenic acid) 121090.7031 85948.71875 192317.4063 73010.49219 129448.9766 213098.1719 31522.38477 13770.51563 93271.33594 192903.1563 FA (20:1) (eicosenoic acid) 39154.27734 26190.13281 53184.32031 19657.94336 25028.6582 44727.03125 14602.69434 2889.392334 18075.30078 22973.0332 FA (20:2) (eicosadienoic acid) 22592.24023 20621.53125 31744.7207 12584.01563 14303.04785 37245.52734 8540.640625 12938.15137 12345.64355 FA (20:3) (homo-gamma-linolenic acid) 59869.97266 44951.31641 71436.71094 20164.15234 30981.31445 65456.80469 15312.55176 6260.422852 22879.86133 14494.76758 FA (20:4) (arachidonic acid) 87749.36719 123190.1953 134277.1406 33798.76172 66212.53125 85568.98438 38512.23047 7922.289551 40419.18359 23345.82617 FA (20:5) (eicosapentaenoic acid) 33369.75 30788.92969 43623.30078 10700.88379 18626.78516 37323.82422 9348.727539 4175.249512 17711.18359 13836.91602 FA (22:6) (docosahexaenoic acid) 28667.79492 37440.07031 25690.40039 9929.400391 12862.71582 20151.40234 10463.32324 11571.15039 11461.09375 FA (24:0) (lignoceric acid) 38668.03516 20029.2793 33388.07422 17408.19141 23581.91992 33728.51563 10257.82813 6789.867188 25186.49414 16428.3418 FA (24:1) (nervonic acid) 21086.15625 14773.11816 26017.63281 13563.78027 17273.25 22037.51758 10422.26074 13322.22559 23320.45117 GlcCer (d42:1) 2598.611084 2224.025146 4926.431152 4383.375 5291.92334 3183.763184 4693.099121 PC (34:1) 143789.2188 107458.0234 214046.0938 84387.0625 156882.4375 214105.5156 62462.58203 40576.09766 112894.9219 144022.2031 PE (34:1) 8151.643066 14643.48535 27394.64648 2273.575684 8974.032227 24693.26172 2208.853516 6972.445313 3425.293457 PE (36:2) 4622.534668 8425.197266 18630.20117 2101.356934 6413.385254 15256.63477 4713.656738 6415.762207 PE (38:4) 3223.67627 6592.897949 11455.26074 2186.252686 6770.120605 5023.474609 3554.816162 4778.919922 SM (d36:2) 15847.11914 15217.90039 37733.10156 15564.27344 24670.17969 42360.84766 4754.216797 7007.833008 19539.11523 18999.81055 SM (d40:0) 8061.446289 6617.617188 8339.320313 5048.845215 8317.673828 9833.550781 3731.015869 5948.466309 8786.673828 0.55_171.03 65164.78516 72325.75781 45559.85547 95802.21875 79158.07031 77703.64063 105155.4844 96453.53125 81181.61719 76442.69531 0.51_187.04 1052352.25 1073540.5 590701.25 1489352.625 1252093.875 1260730.625 1461578.875 1378989.875 1314589 1182268.5 0.5_201.03 101904.0469 58949.56641 63086.07031 29530.11523 64776.22266 43541.91016 19057.82813 73308.34375 38932.25 52844.62109 0.53_201.04 101904.0469 37049.76563 63086.07031 66558.96094 64776.22266 45648.03516 73909.46875 73308.34375 50072.79688 52844.62109 0.52_223.01 82044.00781 110334.0313 97720.21875 110950.4141 109652.0156 101714.8594 99497.21875 86534.23438 114054.0156 106279.4063 0.58_223.02 102145.6797 102280.875 97720.21875 110950.4141 109652.0156 111856.1172 107739.9531 99044.53906 104942.8828 102003.5234 0.51_231.03 104324.1641 65048.55469 181533.7813 62791.21875 83069.25 155733.1719 16522.87695 6630.851563 34822.1875 43259.49609 0.51_277.07 72503.875 70310.49219 40241.01172 73786.24219 74631.07813 90436.4375 64330.29297 33032.63281 78977.46094 41147.53906 0.83_279.16 3407.324463 4383.817871 3997.767334 2582.017578 2551.505371 2912.436279 2067.230225 45910.57031 2802.755615 3.13_295.26 40280.34375 19835.33789 44333.52734 13617.52246 27224.01172 41567.75 8921.454102 2894.727295 16390.52734 12848.75195 0.52_297.08 22015.08594 25625.43359 17194.59766 14240.97656 26485.36133 27593.95508 6642.338379 2901.423584 20792.07617 10498.6748 0.76_297.15 12865.32422 22340.8457 10556.19238 9142.087891 11653.51855 9729.486328 9116.688477 67536.17969 14303.36426 8823.949219 3.42_297.28 29114.5 14751.42773 40526.37109 12582.58496 21156.27734 51144.04297 5768.257813 6189.598633 27873.94531 27948.78711 0.58_305.02 137856.0625 131092.0469 117269.1797 150802.1719 142270.7344 153584.4375 142115.2656 129142.1328 141732.0469 134173.9688 0.83_309.17 4183.145508 5986.480957 4660.719238 3570.089355 4004.439941 2887.630127 2789.76001 38319.46875 4144.778809 0.83_311.17 67491.54688 107400.4219 49909.50781 35980.65234 57991.28906 41483.79688 37556.41406 371439.3125 69833.19531 36277.1875 3.55_311.3 399649.875 156556.3594 546345.875 177270.0469 294645.125 518849.4375 70425.23438 33838.51172 296983.6563 383803.2813 0.92_325.18 62519.35547 93350.19531 44869.58984 32878.80859 74104 35816.64453 35093.21875 290248.5938 63283.03125 33614.97656 2.19_329.25 66954.85156 77073.75781 120540.3125 25431.17969 48579.47656 85628.02344 27186.28125 4142.687012 31396.21289 27998.88672 2.74_331.26 18560.24805 19715.4668 29009.88086 11121.80469 14871.05566 16249.74219 9725.613281 9553.706055 6251.009766 3.21_333.28 17781.38672 10351.2373 22268.7168 10200.06152 14757.45117 17289.14063 8767.456055 9228.998047 9219.929688 1.15_339.2 20865.89453 29414.15039 18656.79883 13128.73535 19278.55859 14406.00195 12449.66113 117215.0703 20986.82031 11523.61328 2.77_363.25 70651.51563 45081.60547 79012.875 26940.46289 50554.44922 80997.16406 23740.96875 4147.196777 25219.80664 20597.09961 0.58_387.03 109439.5234 101191.9141 89127.50781 123938.9219 117003.8359 125317.1719 114691.9141 102303.6016 112153.4531 100786.9219 0.87_427.28 40464.35156 30175.80859 87931.41406 27135.73438 39188.35938 108731.9063 9354.292969 12952.02832 62444.09375 66021.25781 0.51_433.14 4217.021484 6717.513184 18825.13672 6529.12793 5092.362305 24590.16211 25238.33789 9403.417969 15982.51074 4.99_443.39 18062.76172 9165.866211 12880.25488 4931.904785 9215.171875 15190.23047 22203.38477 13608.03125 7679.495117 2.88_465.3 25162.42383 14447.56348 44331.86719 13897.26172 31396.07813 44917.71484 7792.958984 5715.618652 22931.13477 30280.24805 0.58_469.03 63859 57144.62109 50427.05469 73090.71875 69672.53906 73739 67453.10938 58711.55859 64772.76172 58395.05859 1.36_473.28 26290.04102 19857.25 15740.7334 8401.110352 11269.49414 13902.86621 9899.02832 3561.40625 20224.25977 7239.239258 3.22_509.33 2731.890137 5182.946289 4356.275391 8852.563477 7930.595215 1.39_524.34 13702.35059 9490.952148 24253.1582 13147.56738 13681.94043 28513.89648 2786.599121 2369.756836 13446.21191 16136.22656 1.6_540.33 15046.37305 10383.85742 16893.05273 10727.43066 11133.78613 19040.28125 3932.820557 2050.335938 10816.60059 16862.54688 0.58_551.03 42030.30078 37542.14063 30412.57422 48026.96484 44358.73047 50208.38281 42867.11328 38689.80078 42164.24219 39199.96875 2.77_563.5 53149.125 28571.01953 65017.64844 15874.59277 33251.34766 61197.41406 13154.28613 14894.12793 12332.15234 1.75_566.35 25039.78711 11251.2998 17016.04102 9842.969727 12495.27148 16545.55469 7468.14502 2000.142822 18013.58789 12193.59668 1.07_576.33 19282.77734 6022.407715 9332.71582 5201.353516 5346.452637 10552.8252 6626.249023 17027.91992 4187.204102 5.85_582.51 18003.37305 15547.53418 33162.40625 18964.22656 20596.28711 24500.64453 8822.178711 2109.251221 14245.94238 8422.633789 2.77_585.49 53444.71484 30580.76172 60478.40625 15039.59668 34653.37891 60868.75 12106.69824 15086.36816 11194.33398 0.88_591.35 26240.89453 8050.359375 18057.79492 6222.230957 14460.80762 22308.01367 14977.25977 2867.763916 19502.25391 12067.95703 1.3_602.35 15792.24805 5365.92041 5142.660156 2956.938721 3001.87793 4953.083984 7979.53125 9727.202148 2912.972412 2.64_610.41 12576.79688 6700.444336 16391.01758 6334.830078 12396.75684 13049.03125 2784.755127 12267.83398 10075.49219 2.78_613.52 25980.00977 17784.45508 29586.36328 11592.13477 18225.30859 28537.60938 11108.97461 3097.378662 11367.36719 10059.5459 0.58_633.04 25425.87891 22157.29102 18496.9707 29901.18359 27229.3418 30810.17578 27108.83984 22623.11133 25454.3418 22309.41797 5.01_659.51 15894.60059 9587.902344 29075.09961 3116.90918 19775.97656 28618.97656 9757.058594 11145.10938 5.74_660.5 2450.115234 2386.390137 14024.46289 7946.250488 14156.64063 2090.213135 2490.703857 5.01_670.48 15531.70898 9337.410156 76483.33594 5600.766602 37372.96094 94896.875 8441.733398 21217.22266 4.81_682.48 3479.778809 2974.320557 26157.57227 2898.982666 11250.64063 29376.39844 3045.525146 7582.960449 5.27_684.5 12823.38867 9573.438477 66923.70313 9677.270508 38141.0625 65615.28125 9753.744141 30685.25195 5.78_686.51 10364.41113 8183.010742 46525.98438 5563.740723 34756.82031 39157.19922 6962.763184 19920.12695 7.91_692.62 6204.591797 6489.135254 13682.76758 7056.513672 7103.729004 12091.94727 3605.866943 5091.147461 2753.361328 5_708.5 6742.320801 6742.508789 49128.58594 2338.282959 29471.00195 35901.80859 7706.615234 9703.338867 3.24_711.29 7799.91748 3928.986816 17215.32031 3926.397461 15913.76953 29043.30859 3684.04541 8107.755371 3683.379395 0.58_715.04 15541.32715 13307.23828 11797.14844 18643.53516 17256.34375 18905.16016 16992.45313 14044.59961 16096.65527 14299.36035 4.31_719.53 12994.90918 9643.112305 13289.76953 6389.370605 12892.8125 13560.48242 4478.085938 2400.27002 8812.142578 11314.01074 5_732.5 6037.995605 8701.171875 15953.28711 2513.960693 11256.6582 18105.69141 2898.242676 4469.452148 4.4_745.55 9668.107422 8685.599609 9256.253906 5435.600586 8420.061523 10316.01563 5005.40918 2567.099609 8029.682617 8339.820313 5.54_762.56 14408.97559 13551.34766 25239.01758 15271.0752 19837.48633 30308.28516 4186.995117 5841.716797 14647.60059 14569.05957 5.22_764.53 4701.786621 4106.696289 12949.06738 4403.55957 8681.914063 2686.986328 3097.94873 4.38_770.53 8342.819336 7152.931152 19327.17969 7735.386719 12068.41699 23009.79102 2653.969238 11260.53223 10252.65723 4.79_772.55 20881.86914 19101.19922 39429.41016 22962.5918 27196.99023 44195.05078 5076.820313 8016.137695 26138.37891 26651.56445 5.3_774.56 17816.7832 13243.48047 46750.75781 17809.56641 28763.46289 38597.50391 3784.852783 7354.23291 21748.51758 22040.73438 5.66_776.58 3596.889404 3212.564209 7092.953613 3206.648926 4173.653809 3937.301758 3741.671631 3941.234619 5.78_777.57 4307.607422 4297.793945 6412.318848 2828.600098 5498.456055 6317.619141 3458.250977 3942.231201 4.68_784.55 27754.67383 25203.02344 52678.90625 26768.04492 38796.06641 58193.31641 6463.925293 11736.25 37879.55078 31311.51172 5.1_786.56 29885.28516 29506.38672 77365.23438 31050.64258 47563.58203 91165.67969 8215.006836 14401.32715 40526.67188 36402.80078 5.61_788.58 77397.3125 67441.46875 191945.5 99658.97656 143719.3125 155736.0938 12942.04102 20513.79883 96404.36719 100896.5078 5.2_792.55 2769.926514 2605.783203 3553.934082 2933.953125 4333.225586 2598.675293 2771.16333 4.57_796.55 4992.595215 5229.28418 11743.89648 4535.084961 8402.289063 11675.60156 7313.251465 6854.487305 5.02_798.56 12843.04785 9233.369141 30162.07227 4684.383789 18356.78125 34618.89063 12613.21777 8331.785156 4.8_800.54 5224.989258 4298.073242 6445.687012 3234.001709 5935.575684 9262.300781 8875.529297 2434.358398 5685.72998 4950.970703 5.25_802.56 13991.47559 11158.64746 19125.99609 8162.462891 15408.23047 25008.24609 7033.51709 3965.328857 12343.47461 15257.46973 5.76_804.58 33900.22656 24982.125 45209.82422 18743.4668 36440.45313 45834.62109 13915.81738 7943.119141 25377.59375 32021.67773 7.91_806.6 4527.790527 5281.839844 7598.92334 6269.619629 4828.039063 6642.390625 2920.169678 3902.880859 2563.229004 4.61_808.55 8283.84668 5669.537109 10885.90137 6625.731445 8486.330078 11622.63184 3019.270752 6262.015137 6564.407715 4.98_810.56 13038.62207 9949.236328 29452.91016 6607.253906 16345.07129 25655.23633 2405.893799 10225.53809 7744.560059 5.27_812.58 5387.881348 8417.728516 14458.52832 5287.726563 9366.892578 10923.70801 8026.526855 5003.40625 6.3_816.61 9454.525391 7473.037109 14001.3877 6877.812012 11044.25293 11297.58008 2390.23999 3564.27417 8707.010742 12110.68164 5.83_821.57 4207.486816 3307.531982 5862.068359 2828.360107 4920.611328 4692.033691 2169.298828 3548.210449 4547.934082 5.01_822.56 5458.649902 4427.290527 8352.475586 2953.062256 6884.331055 9778.509766 3934.627197 3184.06665 5.05_826.56 3770.291504 3316.545166 7094.261719 5243.706055 7256.993652 3504.047363 3165.827637 5.92_830.59 34044.39453 31676.95898 51032.68359 20956.32031 42042.76953 59531.41406 16591.06055 9634.522461 38523.17969 34373.81641 7.05_831.66 11420.72461 9126.136719 13478.17871 7048.750488 11600.92676 15319.94238 4478.193359 2507.919922 8676.832031 13213.37695 6.45_832.61 71075.13281 63085.92969 102186.1875 46911.44922 81737.69531 99978.375 32671.125 19747.68555 70285.29688 74895.72656 6.74_832.64 8193.271484 4872.611816 10892.71582 16969.29688 6545.615723 22809.44336 3571.397217 6596.337891 8509.480469 4.81_834.56 4651.48584 8201.686523 4477.836426 4735.895508 4074.73584 4447.908203 2884.014893 3499.231201 4.55_835.53 4627.465332 2952.837402 8351.660156 3311.685059 5096.821289 7886.560547 3863.726807 4941.345215 7.37_835.65 7957.120117 6380.015137 8526.351563 4329.77832 7833.927246 9019.609375 3351.201172 6166.174805 8616.321289 5.02_836.58 15383.77344 13962.18555 31930.26758 7238.873535 24695.08984 47260.28516 13531.60938 8566.336914 7.04_848.65 5430.164551 5443.599121 7312.905273 3412.850342 6685.444824 7197.854004 2853.234375 5439.500488 6406.560547 4.82_849.55 6280.538086 3014.633301 7636.878418 2042.617798 2240.964355 7.71_849.66 7785.853516 7029.573242 9202.089844 5027.827637 8721.935547 9889.306641 3349.763428 6195.994629 9715.993164 0.87_855.58 7333.219238 3343.413574 25426.83594 3018.322266 4951.453125 33380.94141 11916.24121 13282.54688 5.6_856.6 9698.333008 6306.256836 15265.58203 8898.380859 13166.1377 14193.29297 2444.572754 2542.030518 12911.80273 11557.33691 4.3_859.53 4574.195801 3951.15625 10697.21094 3786.484131 6040.269531 13925.9375 5600.362305 5750.33252 4.3_860.59 3129.300781 2259.169434 5415.76416 2033.892578 2969.227783 7788.80127 4261.374023 3332.543213 3024.944824 6.63_860.64 16721.01758 9894.490234 23999.65234 11170.58984 21179.19922 18027.75195 4961.847656 4756.017578 18266.12695 17848.31055 4.68_861.55 6627.128418 4964.10791 16506.48242 5517.724121 8617.490234 23012.41992 3212.946777 2446.936523 7332.01416 9114.274414 6.85_862.65 5885.213379 5128.148926 9554.975586 4480.82959 8413.24707 9862.71875 2221.817139 7782.1875 6696.085449 5.11_863.56 17430.48242 9908.425781 74661.53125 9944.570313 40346.71094 116998.5391 4781.839844 3215.148682 29219.1875 29946.43164 5.75_869.61 10790.46484 14404.61621 14701.42676 9254.948242 10037.23535 13177.46094 8504.724609 3614.878662 16670.85547 13508.92969 5.62_870.62 53868.71094 34488.69141 83034.77344 49685.38281 76333.3125 80836.0625 11561.0127 13638.77344 80567.49219 68627.09375 6.26_870.63 15692.95215 41363.59375 46914.49219 7243.936035 33604.27734 35226.68359 8212.292969 4452.934082 7462.530762 11165.63281 6.07_872.63 55761.48828 27463.94141 83653.66406 35864.20703 68716.58594 83613.48438 16029.10547 16384.125 71605.82813 64684.51563 6.59_874.65 65588.79688 29474.43945 93469.44531 40242.08594 84019.01563 67479.40625 17724.22656 18196.30469 69482.57813 73935.46875 7.18_876.67 29837.48438 26215.25781 47661.83203 21165.61914 41187.50391 50745.66406 9598.272461 8871.642578 38310.70313 37742.41406 4.26_883.53 10864.73438 8314.367188 14381.84473 6092.328125 9021.491211 16456.92773 4084.270264 2269.595703 7132.774414 7173.493652 4.61_885.55 42938.24609 46701.42578 70812.39063 25259.7832 40487.74219 68307.80469 18010.31641 7645.219727 29804.43555 31844.13281 4.98_887.57 86376.02344 38794.89063 150990.9063 15034.13867 64189.88672 159044.0625 4609.522949 2785.767578 35675.70703 28331.2168 4.94_888.57 44852.73438 19526.125 36460.05469 8168.791016 31386.08008 34597.30469 2602.370361 17501.25 15579.29102 5.27_889.58 9040.400391 5054.382324 8063.32959 2556.269531 2953.501953 5.95_896.64 16958.48633 8054.019043 14411.49512 7496.458496 13373.99219 12643.59473 3167.911621 3146.158936 13391.30957 14703.2334 6.24_898.65 12179.80664 9073.083008 18794.03711 8895.708008 17273.31055 12193.23535 3230.022461 3477.626465 17954.65039 11939.86914 4.63_911.56 11900.61328 9809.217773 22559.38086 7768.406738 10986.67188 23003.2832 4077.366943 2823.348389 9439.836914 8857.677734 2.76_917.55 114271.6406 46542.51953 67654.19531 23896.82617 52165.63672 70056.125 42088.14844 2109.339111 41393.31641 19054.31836 6.45_928.63 8761.569336 8750.789063 9109.919922 8482.800781 9326.570313 9523.803711 7248.569336 4957.778809 9444.296875 9479.796875 7.37_941.69 6531.691895 5215.117188 7693.240723 4010.643066 6722.397461 9073.186523 2851.6875 5252.132324 7448.353027 7.71_955.71 7094.376953 5810.578613 7819.883301 4773.961914 6977.178223 8456.90332 3050.709229 5129.492188 8475.299805 12.38_1025.96 9514.87793 9751.546875 4061.986328 11945.87891 9504.233398 13407.81641 14517.38867 9835.636719 11765.57422 2.39_1105.74 6782.881836 5228.30127 10695.71875 4444.694336 6549.020996 13607.74414 4908.341309 9479.995117 4.15_1259.74 2954.601563 3529.479492 3443.344482 2290.567383 2816.264404 2564.254395 3572.430908 3189.880371 2851.883545 4.55_1367.75 2714.479736 4076.951904 4663.318848 2732.854736 4697.000488 2326.69458 3271.272461 4037.326904 4.94_1464.15 5742.555176 4270.650391 5333.150391 2972.920654 5162.299805 6521.805664 4115.134277 5308.79834 5.76_1578.17 4374.111816 3013.111084 6703.777832 2213.256348 5005.804688 6796.02002 3176.664063 4889.624023 5.92_1630.2 4791.588867 3936.474609 8211.391602 2500.28125 5758.78125 10855.95313 5057.688477 4572.117188 5.92_1631.2 4936.387695 4196.837402 8543.601563 2454.472412 6151.812988 10752.18066 5299.584961 4848.196777 6.45_1634.23 12377.01465 10086.19336 20538.39258 7003.919434 15458.78027 20557.57617 4171.297852 11865.6123 12606.77832 6.45_1635.23 13096.36328 10915.00488 21574 7405.05957 15563.66504 20055.86719 4392.625977 2108.703369 12504.74512 13237.30664 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Identifier m/z RT Adduct Ceramide (d34:1) 5.85_572.48 572.4807077 5.852083333 [M+Cl]- Ceramide (d41:1) 8.27_670.59_8.27_694.63 670.590292505968_694.633370674898 8.271308081 [M+Cl]-_ [M+HAc-H]- CSH_negESI #378 7.9_709.61 709.6099246 7.904454545 CSH_negESI #590 4.81_814.56 814.5589778 4.811583333 CSH_negESI #599 4.94_737.54 737.5360283 4.943666667 CSH_negESI #644 5.44_842.59 842.5903269 5.440416667 CSH_negESI #706 6.45_822.58 822.5787401 6.450416667 CSH_negESI #713 6.59_744.55 744.5538923 6.587 CSH_negESI #749 7.35_680.57 680.5747674 7.349 FA (16:1) (palmitoleic acid) 1.89_253.22 253.2182236 1.89125 [M-H]- FA (17:1) (heptadecenoic acid) 2.3_267.23 267.2338791 2.302166667 [M-H]- FA (18:1) (oleic acid) 2.77_281.25 281.2494045 2.774642857 [M-H]- FA (18:2) (linoleic acid) 2.13_279.23 279.233901 2.127692308 [M-H]- FA (18:3) (linolenic acid) 1.65_277.22 277.2178535 1.65225 [M-H]- FA (20:1) (eicosenoic acid) 3.38_309.28 309.2805016 3.376 [M-H]- FA (20:2) (eicosadienoic acid) 2.96_307.26 307.2649231 2.958636364 [M-H]- FA (20:3) (homo-gamma-linolenic acid) 2.53_305.25 305.2515988 2.528857143 [M-H]- FA (20:4) (arachidonic acid) 1.99_303.23 303.2336337 1.99125 [M-H]- FA (20:5) (eicosapentaenoic acid) 1.57_301.22 301.2179476 1.567166667 [M-H]- FA (22:6) (docosahexaenoic acid) 1.78_327.23 327.233551 1.776272727 [M-H]- FA (24:0) (lignoceric acid) 5.34_367.36 367.3580513 5.340083333 [M-H]- FA (24:1) (nervonic acid) 4.6_365.34 365.3428583 4.596545455 [M-H]- GlcCer (d42:1) 7.94_846.66 846.6577985 7.944555556 [M+Cl]- PC (34:1) 5.76_818.59 818.5908025 5.764333333 [M+HAc-H]- PE (34:1) 5.91_716.52 716.522513 5.912454545 [M-H]- PE (36:2) 6_742.54 742.5383112 5.9961 [M-H]- PE (38:4) 5.95_766.54 766.5384723 5.9463 [M-H]- SM (d36:2) 5.09_787.59 787.5878334 5.089416667 [M+HAc-H]- SM (d40:0) 7.03_847.66 847.6568782 7.028 [M+HAc-H]- 0.55_171.03 0.55_171.03 171.0288528 0.5513 0.51_187.04 0.51_187.04 187.0419898 0.505727273 0.5_201.03 0.5_201.03 201.0256121 0.5041 0.53_201.04 0.53_201.04 201.0357631 0.5297 0.52_223.01 0.52_223.01 223.01254 0.524083333 0.58_223.02 0.58_223.02 223.0214945 0.583333333 0.51_231.03 0.51_231.03 231.0349446 0.5064 0.51_277.07 0.51_277.07 277.0739931 0.50525 0.83_279.16 0.83_279.16 279.1636434 0.826 3.13_295.26 3.13_295.26 295.2647809 3.132583333 0.52_297.08 0.52_297.08 297.0805224 0.518416667 0.76_297.15 0.76_297.15 297.1535247 0.755384615 3.42_297.28 3.42_297.28 297.2805819 3.4195 0.58_305.02 0.58_305.02 305.0243645 0.581166667 0.83_309.17 0.83_309.17 309.1742665 0.834333333 0.83_311.17 0.83_311.17 311.1692004 0.833428571 3.55_311.3 3.55_311.3 311.2961941 3.551642857 0.92_325.18 0.92_325.18 325.184797 0.915642857 2.19_329.25 2.19_329.25 329.2492019 2.19025 2.74_331.26 2.74_331.26 331.2646803 2.740272727 3.21_333.28 3.21_333.28 333.280287 3.206777778 1.15_339.2 1.15_339.2 339.2005176 1.154285714 2.77_363.25 2.77_363.25 363.252221 2.773416667 0.58_387.03 0.58_387.03 387.0271123 0.5805 0.87_427.28 0.87_427.28 427.2849457 0.8662 0.51_433.14 0.51_433.14 433.1436731 0.509333333 4.99_443.39 4.99_443.39 443.3894586 4.988444444 2.88_465.3 2.88_465.3 465.3047702 2.876416667 0.58_469.03 0.58_469.03 469.0298206 0.579833333 1.36_473.28 1.36_473.28 473.2829087 1.358333333 3.22_509.33 3.22_509.33 509.3308925 3.218285714 1.39_524.34 1.39_524.34 524.335074 1.3886 1.6_540.33 1.6_540.33 540.3303345 1.600333333 0.58_551.03 0.58_551.03 551.0327087 0.5843 2.77_563.5 2.77_563.5 563.5031544 2.774181818 1.75_566.35 1.75_566.35 566.3456545 1.753666667 1.07_576.33 1.07_576.33 576.3301501 1.070555556 5.85_582.51 5.85_582.51 582.5096706 5.845916667 2.77_585.49 2.77_585.49 585.4857011 2.774818182 0.88_591.35 0.88_591.35 591.3529495 0.882 1.3_602.35 1.3_602.35 602.345443 1.301272727 2.64_610.41 2.64_610.41 610.4082058 2.640666667 2.78_613.52 2.78_613.52 613.5226553 2.777083333 0.58_633.04 0.58_633.04 633.0353455 0.5811 5.01_659.51 5.01_659.51 659.5121774 5.0096 5.74_660.5 5.74_660.5 660.4964571 5.740571429 5.01_670.48 5.01_670.48 670.4810257 5.01275 4.81_682.48 4.81_682.48 682.4811169 4.811625 5.27_684.5 5.27_684.5 684.4961891 5.2655 5.78_686.51 5.78_686.51 686.5119057 5.7795 7.91_692.62 7.91_692.62 692.618743 7.913 5_708.5 5_708.5 708.4965371 5.002375 3.24_711.29 3.24_711.29 711.2888617 3.236818182 0.58_715.04 0.58_715.04 715.0383606 0.5811 4.31_719.53 4.31_719.53 719.533571 4.310083333 5_732.5 5_732.5 732.4983676 5.00025 4.4_745.55 4.4_745.55 745.5485816 4.404833333 5.54_762.56 5.54_762.56 762.5647331 5.5371 5.22_764.53 5.22_764.53 764.5299793 5.220666667 4.38_770.53 4.38_770.53 770.5329657 4.379111111 4.79_772.55 4.79_772.55 772.5485199 4.7887 5.3_774.56 5.3_774.56 774.5643194 5.2993 5.66_776.58 5.66_776.58 776.5750939 5.6637 5.78_777.57 5.78_777.57 777.5689577 5.7774 4.68_784.55 4.68_784.55 784.5488802 4.681272727 5.1_786.56 5.1_786.56 786.5641693 5.0995 5.61_788.58 5.61_788.58 788.580011 5.6136 5.2_792.55 5.2_792.55 792.5514136 5.201333333 4.57_796.55 4.57_796.55 796.5493965 4.565 5.02_798.56 5.02_798.56 798.5645065 5.016 4.8_800.54 4.8_800.54 800.5443817 4.7969 5.25_802.56 5.25_802.56 802.5595133 5.254416667 5.76_804.58 5.76_804.58 804.5756989 5.76225 7.91_806.6 7.91_806.6 806.5986236 7.906818182 4.61_808.55 4.61_808.55 808.5491509 4.606090909 4.98_810.56 4.98_810.56 810.5642609 4.982444444 5.27_812.58 5.27_812.58 812.5800066 5.274 6.3_816.61 6.3_816.61 816.6109551 6.2966 5.83_821.57 5.83_821.57 821.5734014 5.825 5.01_822.56 5.01_822.56 822.5649133 5.013875 5.05_826.56 5.05_826.56 826.5603252 5.050333333 5.92_830.59 5.92_830.59 830.5910721 5.917583333 7.05_831.66 7.05_831.66 831.6584486 7.045333333 6.45_832.61 6.45_832.61 832.6070328 6.44775 6.74_832.64 6.74_832.64 832.6437774 6.742363636 4.81_834.56 4.81_834.56 834.564231 4.813875 4.55_835.53 4.55_835.53 835.5338034 4.5453 7.37_835.65 7.37_835.65 835.645161 7.374636364 5.02_836.58 5.02_836.58 836.5801544 5.021 7.04_848.65 7.04_848.65 848.6479783 7.037 4.82_849.55 4.82_849.55 849.5491123 4.825 7.71_849.66 7.71_849.66 849.660397 7.710181818 0.87_855.58 0.87_855.58 855.5769793 0.868375 5.6_856.6 5.6_856.6 856.6033138 5.6029 4.3_859.53 4.3_859.53 859.5334547 4.3032 4.3_860.59 4.3_860.59 860.5932613 4.297363636 6.63_860.64 6.63_860.64 860.6384003 6.631 4.68_861.55 4.68_861.55 861.5498128 4.678916667 6.85_862.65 6.85_862.65 862.6521696 6.849222222 5.11_863.56 5.11_863.56 863.5648962 5.109416667 5.75_869.61 5.75_869.61 869.6097974 5.751916667 5.62_870.62 5.62_870.62 870.6187235 5.618363636 6.26_870.63 6.26_870.63 870.6302001 6.257833333 6.07_872.63 6.07_872.63 872.6348634 6.067 6.59_874.65 6.59_874.65 874.6530792 6.5903 7.18_876.67 7.18_876.67 876.6698181 7.178 4.26_883.53 4.26_883.53 883.5344511 4.26025 4.61_885.55 4.61_885.55 885.5494181 4.611333333 4.98_887.57 4.98_887.57 887.565381 4.9795 4.94_888.57 4.94_888.57 888.5678921 4.944090909 5.27_889.58 5.27_889.58 889.5799734 5.2678 5.95_896.64 5.95_896.64 896.6368731 5.951 6.24_898.65 6.24_898.65 898.6510788 6.2396 4.63_911.56 4.63_911.56 911.5646932 4.6345 2.76_917.55 2.76_917.55 917.5456584 2.759 6.45_928.63 6.45_928.63 928.6251061 6.452416667 7.37_941.69 7.37_941.69 941.6931258 7.373090909 7.71_955.71 7.71_955.71 955.7084512 7.711636364 12.38_1025.96 12.38_1025.96 1025.963233 12.37709091 2.39_1105.74 2.39_1105.74 1105.740114 2.3879 4.15_1259.74 4.15_1259.74 1259.736557 4.145818182 4.55_1367.75 4.55_1367.75 1367.747434 4.5545 4.94_1464.15 4.94_1464.15 1464.146947 4.9374 5.76_1578.17 5.76_1578.17 1578.166726 5.7624 5.92_1630.2 5.92_1630.2 1630.197632 5.9222 5.92_1631.2 5.92_1631.2 1631.200465 5.9191 6.45_1634.23 6.45_1634.23 1634.229353 6.449444444 6.45_1635.23 6.45_1635.23 1635.232639 6.446 METABOLITES_END #END