#METABOLOMICS WORKBENCH sdhungana_20140608_9212841_mwtab.txt DATATRACK_ID:107 STUDY_ID:ST000073 ANALYSIS_ID:AN000115 PROJECT_ID:PR000069 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Effect of diet and age on ovarian metabolome PR:PROJECT_TYPE Effects of Western diet on female reproductive function and aging, including PR:PROJECT_TYPE associated with oxidative stress pathways PR:PROJECT_SUMMARY The long-term goal of this research is to understand the effects of the Western PR:PROJECT_SUMMARY on female reproductive function and aging, to characterize the resultant health PR:PROJECT_SUMMARY and to determine the value of dietary intervention. In the past 100 years, PR:PROJECT_SUMMARY patterns in Western societies have changed remarkably. The consumption of PR:PROJECT_SUMMARY fatty acids (SFA), omega-6 (n-6) unsaturated fatty acids and refined PR:PROJECT_SUMMARY has risen sharply, whereas consumption of fruits, vegetables and omega-3 fatty PR:PROJECT_SUMMARY (n-3) has declined. This dietary pattern is associated with post-prandial PR:PROJECT_SUMMARY stress and inflammation, both of which are implicated in numerous disease PR:PROJECT_SUMMARY The key rationale for this pilot grant application stems from studies reporting PR:PROJECT_SUMMARY decline in reproductive function in women that is coincident with changing PR:PROJECT_SUMMARY of Western diet, observations of Western diet-associated infertility in PR:PROJECT_SUMMARY and adverse effects of diet on ovarian reserve in monkeys. Recently, PR:PROJECT_SUMMARY profiling has been used to characterize oxidative and inflammatory pathways in PR:PROJECT_SUMMARY non-diseased ovary. Using this technology, it has also been reported that aging PR:PROJECT_SUMMARY and those with reduced ovarian reserve, have altered follicular fluid levels of PR:PROJECT_SUMMARY and reproductive hormones compared to normal ovarian reserve women. Therefore, PR:PROJECT_SUMMARY methodology is ideal for determining differences in global metabolomic profiles PR:PROJECT_SUMMARY ovaries derived from subjects of differing nutritional backgrounds. The PR:PROJECT_SUMMARY study will compare the effects of chronic exposure to a typical Western diet PR:PROJECT_SUMMARY a prudent diet on ovarian metabolome and metabolites associated with oxidative PR:PROJECT_SUMMARY pathways. The central hypothesis is that ovaries from monkeys exposed to PR:PROJECT_SUMMARY divergent nutritional backgrounds will differentiate from each other with PR:PROJECT_SUMMARY to their metabolome and with respect to metabolites indicative of oxidative PR:PROJECT_SUMMARY We will address this with three Specific Aims designed to: 1) determine whether PR:PROJECT_SUMMARY metabolome of ovarian tissue from cynomolgus monkeys (Macaca fascicularis) PR:PROJECT_SUMMARY by nutritional background; 2) determine if metabolomic profiles of ovarian PR:PROJECT_SUMMARY will differentiate by age in pedigreed, known-age domestic vervet monkeys PR:PROJECT_SUMMARY aethiops sabaeus) and 3) investigate whether the effects of diet or age on PR:PROJECT_SUMMARY tissue metabolome is reflected by changes in serum metabolites. Archived PR:PROJECT_SUMMARY tissue from two well-established nonhuman primate models of women’s health PR:PROJECT_SUMMARY fascicularis and Chlorocebus aethiops sabaeus) will be used for this study. PR:INSTITUTE Wake Forest University PR:DEPARTMENT Department of Pathology PR:LAST_NAME Appt PR:FIRST_NAME Susan PR:ADDRESS Medical Center Blvd., Winston-Salem, NC 27157 PR:EMAIL sappt@wakehealth.edu PR:PHONE 336-716-1637 #STUDY ST:STUDY_TITLE Effect of diet and age on ovarian metabolome (serum metabolome compared to ST:STUDY_TYPE Metabolomics analysis on the serum metabolome for comparison against the ST:STUDY_TYPE metabolome ST:STUDY_SUMMARY Serum samples from twenty-one adult, female Cynomolgus monkeys were studied, ST:STUDY_SUMMARY of which were fed the Western #907 diet, and 13 of which were fed the Prudent ST:STUDY_SUMMARY diet. HPLC-MS data were acquired for the 21 samples. ST:INSTITUTE RTI International ST:DEPARTMENT Discovery and Analytical Sciences (DAS) ST:LABORATORY RTI Regional Comprehensive Metabolomics Resource Core (RTI RCMRC) ST:LAST_NAME Sumner ST:FIRST_NAME Susan ST:ADDRESS 3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA ST:EMAIL ssumner@rti.org ST:PHONE 919-541-7479 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 21 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Macaca fascicularis SU:TAXONOMY_ID 9541 SU:AGE_OR_AGE_RANGE 7.5-18.17 SU:GENDER Female SU:ANIMAL_HOUSING pen SU:ANIMAL_FEED Prudent #611 or Wester #907 SU:SPECIES_GROUP Mammal #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - Pooled All_1 Diet:-- Age=-- SUBJECT_SAMPLE_FACTORS - Pooled All_2 Diet:-- Age=-- SUBJECT_SAMPLE_FACTORS - Pooled All_3 Diet:-- Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_1 Diet:Prudent_#611 Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_2 Diet:Prudent_#611 Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_3 Diet:Prudent_#611 Age=-- SUBJECT_SAMPLE_FACTORS - 6634 Diet:Prudent_#611 Age=13.17 SUBJECT_SAMPLE_FACTORS - 6641 Diet:Prudent_#611 Age=13.17 SUBJECT_SAMPLE_FACTORS - 6643 Diet:Prudent_#611 Age=13.17 SUBJECT_SAMPLE_FACTORS - 6644 Diet:Prudent_#611 Age=13.17 SUBJECT_SAMPLE_FACTORS - 6653 Diet:Prudent_#611 Age=13.17 SUBJECT_SAMPLE_FACTORS - 6638 Diet:Prudent_#611 Age=14.17 SUBJECT_SAMPLE_FACTORS - 6652 Diet:Prudent_#611 Age=14.17 SUBJECT_SAMPLE_FACTORS - 6655 Diet:Prudent_#611 Age=14.17 SUBJECT_SAMPLE_FACTORS - 6651 Diet:Prudent_#611 Age=15.17 SUBJECT_SAMPLE_FACTORS - 6659 Diet:Prudent_#611 Age=18.17 SUBJECT_SAMPLE_FACTORS - 6703 Diet:Prudent_#611 Age=7.5 SUBJECT_SAMPLE_FACTORS - 6704 Diet:Prudent_#611 Age=7.5 SUBJECT_SAMPLE_FACTORS - 6648 Diet:Prudent_#611 Age=9.17 SUBJECT_SAMPLE_FACTORS - 7236 Diet:Western_#907 Age=10.2 SUBJECT_SAMPLE_FACTORS - Pooled Western_1 Diet:Western_#907 Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Western_2 Diet:Western_#907 Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Western_3 Diet:Western_#907 Age=-- SUBJECT_SAMPLE_FACTORS - 7279 Diet:Western_#907 Age=10.09 SUBJECT_SAMPLE_FACTORS - 7295 Diet:Western_#907 Age=10.21 SUBJECT_SAMPLE_FACTORS - 7284 Diet:Western_#907 Age=13.07 SUBJECT_SAMPLE_FACTORS - 7287 Diet:Western_#907 Age=14.09 SUBJECT_SAMPLE_FACTORS - 7275 Diet:Western_#907 Age=17.06 SUBJECT_SAMPLE_FACTORS - 7017 Diet:Western_#907 Age=17.84 SUBJECT_SAMPLE_FACTORS - 7018 Diet:Western_#907 Age=7.82 #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_COMMENTS Snap frozen in liquid nitrogen CO:SAMPLE_TYPE Ovary tissue CO:VOLUMEORAMOUNT_COLLECTED 128-597mg CO:STORAGE_CONDITIONS -80C #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Ovary samples were extracted using acetonitrile protein precipitation. Samples SP:SAMPLEPREP_SUMMARY then dried and reconstituted for LC-MS analysis in 95:5 water:methanol. SP:SAMPLEPREP_PROTOCOL_FILENAME RTI_APPT-SERUM_Metabolomics_Procedure.docx SP:PROCESSING_METHOD Homogenization SP:EXTRACTION_METHOD Acetonitrile SP:EXTRACT_STORAGE -80 C SP:SAMPLE_RESUSPENSION 95:5 Water:Methanol SP:SAMPLE_SPIKING L-Tryptophan-d5 SP:ORGAN Ovary #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) CH:COLUMN_PRESSURE 6000-10000 CH:COLUMN_TEMPERATURE 50 C CH:FLOW_GRADIENT Time(min) Flow Rate %A %B Curve 1. Initial 0.400 100.0 0.0 2. CH:FLOW_GRADIENT 0.400 100.0 0.0 6 3. 16.00 0.400 0.0 100.0 6 4. 20.00 0.400 0.0 100.0 CH:FLOW_GRADIENT 5. 22.00 0.400 100.0 0.0 6 CH:FLOW_RATE 0.4 mL/min CH:INJECTION_TEMPERATURE 8 C CH:INTERNAL_STANDARD L-Tryptophan-d5 CH:SOLVENT_A Water w/ 0.1% formic acid CH:SOLVENT_B Methanol w/ 0.1% formic acid CH:ANALYTICAL_TIME 22 min CH:WEAK_WASH_SOLVENT_NAME 5%MeOH CH:WEAK_WASH_VOLUME 1000 uL CH:STRONG_WASH_SOLVENT_NAME 80%MeOH CH:STRONG_WASH_VOLUME 1000 uL CH:TARGET_SAMPLE_TEMPERATURE 8 C CH:SAMPLE_LOOP_SIZE 10 uL CH:SAMPLE_SYRINGE_SIZE 100 uL CH:RANDOMIZATION_ORDER Yes #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME RTI AN:ACQUISITION_DATE 41656 AN:SOFTWARE_VERSION MassLynx 4.1 AN:OPERATOR_NAME Suraj Dhungana, Darya Cheng AN:DETECTOR_TYPE TOF +ive #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Waters Synapt G2 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 110 C MS:CAPILLARY_VOLTAGE 3.2 kV MS:COLLISION_ENERGY 4 MS:FRAGMENTATION_METHOD CID MS:HELIUM_FLOW 180 MS:IONIZATION ES+ MS:MASS_ACCURACY 10 ppm MS:SOURCE_TEMPERATURE 110 C MS:DATAFORMAT Continuum MS:DESOLVATION_GAS_FLOW 400 L/Hr MS:DESOLVATION_TEMPERATURE 400 C MS:RESOLUTION_SETTING 18000 MS:SCAN_RANGE_MOVERZ 50-1000 m/s MS:SCANNING_CYCLE 1 s MS:TUBE_LENS_VOLTAGE 75 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized abundance MS_METABOLITE_DATA_START Samples Pooled All_1 Pooled All_2 Pooled All_3 Pooled Prudent_1 Pooled Prudent_2 Pooled Prudent_3 Pooled Western_1 Pooled Western_2 Pooled Western_3 6634 6638 6641 6643 6644 6648 6651 6652 6653 6655 6659 6703 6704 7017 7018 7236 7275 7279 7284 7287 7295 Factors Diet:-- Diet:-- Diet:-- Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Western_#907 Diet:Western_#907 Diet:Western_#907 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 Diet:Prudent_#611 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160.2377709 230.2166203 326.2023097 9.97_330.0784m/z 24.07054778 19.18293038 27.279154 0 0 0 56.04008783 58.13118093 47.62159129 0 0 0 0 0 0 0 0 0 0 0 0 0 36.21348366 44.84026649 146.3815054 55.92607489 0 22.76395269 43.21089978 69.82054524 9.97_342.0775n 124.4835892 146.3735791 143.5544239 0 0 0 271.2951345 320.9012274 281.1131158 0 0 0 0 0 0.119107337 0 0 0 0 0 0 0 160.3223258 179.0816016 713.065309 228.8737545 2.997792643 147.3150372 222.8312715 323.8209696 9.97_357.1018m/z 86.16243417 97.76654499 81.47216615 0 0 0 151.2847037 182.6458365 196.9529306 0 0 0 1.041021512 0 0 0 0 0 0 0 0 0 101.018019 125.1929899 427.4244355 156.503844 0 114.7562859 129.8843808 212.9498877 9.97_472.2438m/z 0 0 0 0 0 0 40.57430314 78.19906704 57.32670225 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19.2415608 854.4418002 32.14932224 0 6.781686929 17.01827981 78.31357703 9.97_585.3096m/z 0 0 0 0 0 0 7.358747813 7.889930316 5.101153391 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 387.0451181 6.316452751 0 0 0 7.021060115 9.97_90.9772m/z 4.159792943 5.406145874 7.404746792 1.987756936 3.178200571 0 20.2700926 18.56510091 20.50532185 0 0 0 0.324065095 0 0 0.025490553 0 1.662843153 0.049314331 0.690789806 0 0.078699291 8.291758248 9.776505265 60.26516686 8.205444054 0 8.406768333 11.60553639 22.62839932 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START Compound Quant m/z Ret. Index Other ID Spectra Kegg PubChem 0.51_141.9601m/z 141.9601161 0.51 0.53_113.9649m/z 113.9649191 0.53 0.53_84.9608m/z 84.96083109 0.53 0.53_88.9693m/z 88.96929276 0.53 0.56_158.9652m/z 158.9651644 0.56 0.56_226.9527m/z 226.9526964 0.56 0.56_634.8815m/z 634.8815169 0.56 0.56_668.8843n 650.8529829 0.56 0.56_702.8665m/z 702.8665114 0.56 0.56_937.7691n 938.7769385 0.56 0.56_954.7488m/z 954.7488068 0.56 0.58_140.9572n 122.9259055 0.58 0.58_192.9701n 174.9388161 0.58 0.58_208.9443n 190.9129568 0.58 0.58_224.9182n 206.8869102 0.58 0.58_260.9578n 242.9265291 0.58 0.58_276.9319n 258.9006398 0.58 0.58_292.9059n 274.8746133 0.58 0.58_308.8800n 290.848709 0.58 0.58_358.8343m/z 358.8342763 0.58 0.58_360.8925n 378.9018664 0.58 0.58_362.9292m/z 362.9291583 0.58 0.58_412.9068n 394.8754694 0.58 0.58_428.8807n 446.8893619 0.58 0.58_444.8548n 462.8632919 0.58 0.58_478.8369m/z 478.8369096 0.58 0.58_494.8110m/z 494.8110261 0.58 0.58_497.8612n 530.8507813 0.58 0.58_510.7845m/z 510.7844545 0.58 0.58_513.8352n 546.8246505 0.58 0.58_566.8872m/z 566.8871593 0.58 0.58_578.7710m/z 578.7709679 0.58 0.58_580.8297n 598.8408581 0.58 0.58_599.8680n 582.8653008 0.58 0.58_613.8080n 614.8158003 0.58 0.58_648.8185n 666.8272702 0.58 0.58_67.9878n 106.9517036 0.58 0.58_698.7748m/z 698.7748053 0.58 0.58_700.8331n 682.8017961 0.58 0.58_732.7799n 750.7891344 0.58 0.58_752.8454n 734.8140566 0.58 0.58_784.7925n 802.8004209 0.58 0.58_800.7668n 818.7748949 0.58 0.58_816.7430n 834.7451922 0.58 0.58_837.7541n 870.7880878 0.58 0.58_850.7294m/z 850.7293989 0.58 0.58_854.8174m/z 854.817387 0.58 0.58_883.7264n 922.7933553 0.58 0.58_885.7286n 886.7663723 0.58 0.58_901.7100n 902.7375435 0.58 0.58_911.7514n 894.7486897 0.58 0.58_928.7394m/z 928.7394251 0.58 0.58_939.7961n 978.7077927 0.58 0.58_952.7390n 970.7229023 0.58 0.58_963.7127n 986.7024815 0.58 0.58_990.7727m/z 990.7727217 0.58 0.60_151.9521m/z 151.9520705 0.6 0.60_162.9710n 185.9607465 0.6 0.60_192.0756m/z 192.0755803 0.6 0.60_207.9730m/z 207.9730195 0.6 0.60_264.9371n 287.926878 0.6 0.60_271.9534m/z 271.9533693 0.6 0.60_282.9442n 321.9358532 0.6 0.60_332.9605m/z 332.9604501 0.6 0.60_350.9553m/z 350.9553051 0.6 0.60_365.9349n 348.932207 0.6 0.60_495.9305m/z 495.9305223 0.6 0.60_508.8923n 491.8895524 0.6 0.60_557.8467m/z 557.8466805 0.6 0.60_570.8996m/z 570.8996229 0.6 0.60_845.7889m/z 845.788866 0.6 0.62_110.0721m/z 110.0720845 0.62 0.62_124.0879m/z 124.0879427 0.62 0.62_126.0236m/z 126.0235626 0.62 0.62_134.0462m/z 134.0461901 0.62 0.62_166.0367n 148.0054423 0.62 0.62_169.9867m/z 169.9867002 0.62 0.62_170.0927m/z 170.0926902 0.62 0.62_174.1080n 175.1193065 0.62 0.62_179.9818m/z 179.9817824 0.62 0.62_180.0639n 203.0537067 0.62 0.62_223.1056n 206.1029229 0.62 0.62_251.0378m/z 251.0377782 0.62 0.62_254.0202m/z 254.0202457 0.62 0.62_272.0129n 273.0207352 0.62 0.62_292.1378n 331.067407 0.62 0.62_304.9583m/z 304.9582974 0.62 0.62_360.0053m/z 360.0053094 0.62 0.62_383.1173m/z 383.1173083 0.62 0.62_398.0334m/z 398.0334131 0.62 0.62_399.0248n 400.0326691 0.62 0.62_403.0103m/z 403.0102688 0.62 0.62_413.0101n 414.0179427 0.62 0.62_429.9734m/z 429.9733691 0.62 0.62_456.9681n 479.9560785 0.62 0.62_463.9797m/z 463.9796701 0.62 0.62_501.0672m/z 501.0672172 0.62 0.62_502.0435n 525.0530053 0.62 0.62_516.0360n 539.0257954 0.62 0.62_547.0333m/z 547.0332672 0.62 0.62_561.0123m/z 561.0123386 0.62 0.62_626.0835m/z 626.0835095 0.62 0.62_641.0602n 664.0499322 0.62 0.62_642.9309m/z 642.9309397 0.62 0.62_649.0628n 650.0705858 0.62 0.62_669.0387n 670.0465226 0.62 0.62_696.0161m/z 696.0161367 0.62 0.62_748.0209n 781.0721135 0.62 0.62_772.0739n 773.0817359 0.62 0.62_789.0693m/z 789.0693022 0.62 0.62_796.0513n 797.0590778 0.62 0.62_816.0340n 839.0262927 0.62 0.62_832.0143n 833.0221434 0.62 0.62_845.0459n 863.1099984 0.62 0.62_875.0429n 914.0717009 0.62 0.62_876.0705n 877.0070025 0.62 0.62_930.0483m/z 930.0483326 0.62 0.63_101.0480n 84.04532381 0.63 0.63_104.1081m/z 104.1080505 0.63 0.63_108.0221n 109.0298895 0.63 0.63_120.0670m/z 120.0670135 0.63 0.63_132.0649m/z 132.0648805 0.63 0.63_142.0278m/z 142.0277688 0.63 0.63_147.0539n 130.051243 0.63 0.63_147.0780m/z 147.0779866 0.63 0.63_168.0527n 169.0591727 0.63 0.63_169.0358n 170.0427701 0.63 0.63_184.0739m/z 184.0738589 0.63 0.63_215.0566n 238.0454155 0.63 0.63_273.0756m/z 273.0755764 0.63 0.63_280.9976m/z 280.997622 0.63 0.63_326.9942m/z 326.9942425 0.63 0.63_420.0710m/z 420.0710029 0.63 0.63_451.9926m/z 451.9926049 0.63 0.63_68.0260n 101.0721976 0.63 0.63_77.0829n 116.0355045 0.63 0.63_81.0341m/z 81.03408263 0.63 0.63_88.0407m/z 88.04067353 0.63 0.65_162.1132m/z 162.1132417 0.65 0.65_175.0959n 159.0772303 0.65 0.65_240.0553m/z 240.0552807 0.65 0.65_257.1033n 258.1111267 0.65 0.65_287.0676n 288.0771383 0.65 0.65_349.0311m/z 349.031131 0.65 0.65_393.0295m/z 393.0295488 0.65 0.65_399.1438m/z 399.1438357 0.65 0.65_410.0058m/z 410.0057531 0.65 0.65_437.0389m/z 437.0389451 0.65 0.65_535.0233m/z 535.023296 0.65 0.65_562.0553m/z 562.0552764 0.65 0.67_114.0672m/z 114.0671613 0.67 0.67_118.0874m/z 118.0873842 0.67 0.67_233.0637m/z 233.0636914 0.67 0.68_290.0888m/z 290.0887539 0.68 0.68_325.1240n 348.0904545 0.68 0.70_132.0781m/z 132.0780521 0.7 0.72_324.0544m/z 324.0544499 0.72 0.72_365.1056m/z 365.1055907 0.72 0.72_90.0558m/z 90.05579536 0.72 0.74_115.0639n 116.0716985 0.74 0.74_146.1191m/z 146.1190708 0.74 0.74_203.0800n 204.0876366 0.74 0.74_244.0802m/z 244.080158 0.74 0.74_70.0656m/z 70.06563683 0.74 0.75_118.1237m/z 118.1236977 0.75 0.75_143.0952n 144.1030246 0.75 0.75_162.0542n 163.0572836 0.75 0.75_186.1059m/z 186.105898 0.75 0.75_223.1059n 224.1140358 0.75 0.75_230.0967m/z 230.096682 0.75 0.75_247.0492m/z 247.0491611 0.75 0.75_276.1203m/z 276.1203187 0.75 0.75_325.1131m/z 325.1130938 0.75 0.75_427.0961m/z 427.0960552 0.75 0.75_504.1694n 527.159191 0.75 0.75_689.2191m/z 689.2190991 0.75 0.79_112.0522m/z 112.0521684 0.79 0.79_284.0537m/z 284.0536624 0.79 0.79_489.1162m/z 489.1161696 0.79 0.79_556.2774m/z 556.2774027 0.79 0.84_133.9294m/z 133.9293566 0.84 0.84_140.9625n 122.9311528 0.84 0.84_270.9681m/z 270.9680936 0.84 0.86_215.0153m/z 215.0153315 0.86 0.86_281.9304n 264.9277178 0.86 0.86_284.9677n 266.9364057 0.86 0.87_113.0449n 95.01360378 0.87 0.87_128.0115n 146.0285947 0.87 0.87_141.0196m/z 141.0195814 0.87 0.87_176.0327n 199.02233 0.87 0.87_328.9357m/z 328.9356619 0.87 0.87_504.9680m/z 504.9679749 0.87 0.89_348.0384m/z 348.0384202 0.89 0.91_100.0231m/z 100.0231121 0.91 0.91_166.0876m/z 166.0875983 0.91 0.93_118.0875m/z 118.0874625 0.93 0.93_219.0987m/z 219.0986695 0.93 0.93_72.0812m/z 72.08123193 0.93 0.94_100.9335m/z 100.9334657 0.94 0.94_155.9766m/z 155.9765601 0.94 0.94_197.9032n 230.9599395 0.94 0.94_253.9512n 276.9656291 0.94 0.94_307.9845n 346.9709448 0.94 0.94_364.9800m/z 364.9799665 0.94 0.94_411.0220m/z 411.0219587 0.94 0.94_423.0190n 406.9918534 0.94 0.96_104.9651m/z 104.9650595 0.96 0.96_146.9398m/z 146.9397552 0.96 0.96_176.0366m/z 176.0366491 0.96 0.96_196.0126m/z 196.0125907 0.96 0.96_377.0304m/z 377.0303874 0.96 0.99_277.1044m/z 277.1044249 0.99 1.03_121.0092m/z 121.0091612 1.03 1.03_130.0872m/z 130.0872303 1.03 1.04_266.0759m/z 266.0759186 1.04 1.06_113.9651m/z 113.9651474 1.06 1.06_147.0186m/z 147.0185938 1.06 1.06_180.9360m/z 180.9359719 1.06 1.08_112.0515m/z 112.0515217 1.08 1.08_147.9817n 130.9789571 1.08 1.08_176.9859m/z 176.9859178 1.08 1.08_184.9882n 166.9568838 1.08 1.08_221.0117m/z 221.0116596 1.08 1.08_223.0639n 205.0326136 1.08 1.08_228.9571m/z 228.9570671 1.08 1.08_244.0937m/z 244.0936521 1.08 1.10_122.0065n 161.0067343 1.1 1.10_148.9476m/z 148.9475534 1.1 1.10_152.0580m/z 152.0579584 1.1 1.11_113.0364m/z 113.0364373 1.11 1.11_243.0065m/z 243.0064565 1.11 1.13_110.9764m/z 110.9764303 1.13 1.13_144.9605m/z 144.96053 1.13 1.13_187.9783n 188.9861617 1.13 1.13_190.9654m/z 190.9654463 1.13 1.13_218.0106n 219.0185807 1.13 1.13_218.0367n 251.0706565 1.13 1.13_250.9872n 234.9919224 1.13 1.15_149.0518n 133.0331145 1.15 1.15_175.0466n 198.0386025 1.15 1.15_176.0556m/z 176.055641 1.15 1.15_276.0177m/z 276.0176892 1.15 1.15_320.0049m/z 320.0048779 1.15 1.15_351.0975m/z 351.0975235 1.15 1.15_88.0398m/z 88.0398337 1.15 1.16_102.0558m/z 102.055804 1.16 1.16_104.0541m/z 104.0541146 1.16 1.16_184.9771n 185.9849632 1.16 1.16_262.0367m/z 262.0367382 1.16 1.16_61.0102m/z 61.01023478 1.16 1.16_87.0270m/z 87.02704352 1.16 1.18_204.1241m/z 204.1240833 1.18 1.20_320.1022m/z 320.102186 1.2 1.22_142.0338m/z 142.0337613 1.22 1.22_151.1439n 134.1188536 1.22 1.22_161.0149n 179.0490233 1.22 1.22_170.0267m/z 170.0266982 1.22 1.22_232.0521n 233.0599543 1.22 1.22_272.0718m/z 272.0717867 1.22 1.22_307.0836m/z 307.083638 1.22 1.22_307.0840n 308.0917206 1.22 1.22_308.1961m/z 308.1960637 1.22 1.22_320.0799n 338.1020257 1.22 1.22_615.1767m/z 615.1767396 1.22 1.22_630.1350n 669.0953632 1.22 1.22_668.0894m/z 668.0894478 1.22 1.22_84.0456m/z 84.04555458 1.22 1.22_922.2609m/z 922.2609444 1.22 1.22_93.0248n 76.02206712 1.22 1.22_976.1792m/z 976.1791863 1.22 1.23_106.0066n 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