#METABOLOMICS WORKBENCH sdhungana_20140608_9878891_mwtab.txt DATATRACK_ID:108 STUDY_ID:ST000072 ANALYSIS_ID:AN000114 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 womenÂ’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 (via tissue) ST:STUDY_TYPE Metabolomics analysis on the ovarian metabolome ST:STUDY_SUMMARY Ovarian 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:Pooled_All Age=-- SUBJECT_SAMPLE_FACTORS - Pooled All_2 Diet:Pooled_All Age=-- SUBJECT_SAMPLE_FACTORS - Pooled All_3 Diet:Pooled_All Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_1 Diet:Pooled_Prudent Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_2 Diet:Pooled_Prudent Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Prudent_3 Diet:Pooled_Prudent 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:Pooled_Western Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Western_2 Diet:Pooled_Western Age=-- SUBJECT_SAMPLE_FACTORS - Pooled Western_3 Diet:Pooled_Western 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-OVARY_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 (negative) #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Waters Synapt G2 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_TEMPERATURE 110 C MS:CAPILLARY_VOLTAGE 2.8 kV MS:COLLISION_ENERGY 4 MS:FRAGMENTATION_METHOD CID MS:HELIUM_FLOW 180 MS:IONIZATION ES- 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/z MS:SCANNING_CYCLE 1 s MS:TUBE_LENS_VOLTAGE 74 #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:Pooled_All Diet:Pooled_All Diet:Pooled_All Diet:Pooled_Prudent Diet:Pooled_Prudent Diet:Pooled_Prudent Diet:Pooled_Western Diet:Pooled_Western Diet:Pooled_Western 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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79.80901575 86.00343537 91.18842323 54.94891085 73.98524603 63.66493169 67.93188961 71.23601063 78.89275419 5.105994407 2.757527969 9.004242958 0 2.934883964 0 1.779575563 5.781294676 0 0 0 0 3.992434888 0 6.641343049 0 23.63516412 0 0 0 0 9.88_414.0972m/z 73.34550171 74.06553689 86.51815197 0 3.064060926 0 186.8761765 191.0581283 188.9519257 0 0 0 0 0 0 0 7.625261366 0 2.058841933 8.476245285 8.312632786 7.907390284 27.8397998 1327.47845 14.17583909 26.27218884 42.40983426 37.87875154 45.2311965 33.84574421 9.88_416.0942m/z 18.89055226 11.1825193 14.48419638 0 0 0 48.79890781 54.8682136 46.84302572 0 0 0 0 0 0 0 0 0 0 0 0 0 0 427.6494925 0 0 0 0 6.400221301 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START Compound Quant m/z Retention time (min) Other ID Ret. Index 0.53_138.0043n 174.9564789 0.53 0.53_144.9275m/z 144.9275116 0.53 0.53_146.9402m/z 146.9402117 0.53 0.55_190.9294m/z 190.9294359 0.55 0.55_200.9703m/z 200.970302 0.55 0.55_326.9044m/z 326.9043578 0.55 0.55_394.8906m/z 394.8906499 0.55 0.56_170.9932m/z 170.9931931 0.56 0.56_173.0078m/z 173.0077589 0.56 0.56_203.0188m/z 203.0187788 0.56 0.56_75.0101m/z 75.0100743 0.56 0.58_142.9977m/z 142.9976779 0.58 0.58_159.9999n 180.9745513 0.58 0.58_211.9923n 248.9615446 0.58 0.58_265.9635n 264.9365567 0.58 0.58_266.9357m/z 266.9357409 0.58 0.58_276.9571m/z 276.9571287 0.58 0.58_279.9802n 316.9490772 0.58 0.58_313.9476n 334.9222404 0.58 0.58_333.9513n 332.9227654 0.58 0.58_349.9253n 348.8970778 0.58 0.58_363.9619n 384.936549 0.58 0.58_364.8714m/z 364.8714371 0.58 0.58_395.9098n 416.8844596 0.58 0.58_468.8975m/z 468.8974904 0.58 0.58_471.9418n 452.9239687 0.58 0.58_479.8700n 500.8446692 0.58 0.58_486.8693m/z 486.8693344 0.58 0.58_503.8888n 484.8709817 0.58 0.58_520.9105m/z 520.9105137 0.58 0.58_547.8576n 568.8322679 0.58 0.58_555.9022n 536.8843303 0.58 0.58_567.9240n 604.8716793 0.58 0.58_571.8762n 552.8583487 0.58 0.58_615.8448n 636.8194927 0.58 0.58_622.8446m/z 622.8446371 0.58 0.58_635.9056n 672.8583939 0.58 0.58_639.8633n 620.8454548 0.58 0.58_667.8579n 688.832533 0.58 0.58_668.7672m/z 668.7671957 0.58 0.58_699.8052n 720.7798868 0.58 0.58_706.8070m/z 706.8069637 0.58 0.58_735.8443n 772.7920126 0.58 0.58_740.8452m/z 740.8452091 0.58 0.58_767.7913n 788.7659423 0.58 0.58_787.8577n 824.8057502 0.58 0.58_819.8049n 840.7795249 0.58 0.58_872.7275m/z 872.7275268 0.58 0.58_908.7673m/z 908.76727 0.58 0.60_112.9875m/z 112.9875216 0.60 0.60_128.9612m/z 128.9611641 0.60 0.60_154.0632m/z 154.0632171 0.60 0.60_281.9384n 280.9098109 0.60 0.60_343.9449m/z 343.9448916 0.60 0.62_124.0086m/z 124.0086395 0.62 0.62_126.0051m/z 126.0051236 0.62 0.62_131.0473m/z 131.0473116 0.62 0.62_140.0131m/z 140.0131291 0.62 0.62_180.0645n 179.0572061 0.62 0.62_191.9958m/z 191.9958472 0.62 0.62_242.0651n 223.0472272 0.62 0.62_250.0307n 271.0053355 0.62 0.62_251.0264m/z 251.0263771 0.62 0.62_397.0275n 418.0021249 0.62 0.62_500.0602n 499.0528882 0.62 0.63_115.0051m/z 115.005078 0.63 0.63_132.0319m/z 132.031905 0.63 0.63_146.0711n 145.0631624 0.63 0.63_214.0499m/z 214.0498983 0.63 0.63_235.9881m/z 235.9881001 0.63 0.63_368.9822m/z 368.9822125 0.63 0.63_432.0896m/z 432.0896325 0.63 0.63_472.0117m/z 472.0116799 0.63 0.65_102.0574m/z 102.0574236 0.65 0.65_119.0019m/z 119.0019079 0.65 0.65_147.0547n 146.0470622 0.65 0.65_149.0115m/z 149.0114564 0.65 0.65_168.0387m/z 168.0387081 0.65 0.65_222.9928n 243.967418 0.65 0.65_245.0309n 266.0062582 0.65 0.65_286.0625m/z 286.0625062 0.65 0.65_315.0808m/z 315.0808458 0.65 0.65_381.1114m/z 381.1113904 0.65 0.65_403.1495m/z 403.1494974 0.65 0.65_88.9896m/z 88.98961203 0.65 0.67_159.0132m/z 159.0132253 0.67 0.67_165.0411m/z 165.0411161 0.67 0.67_181.9674m/z 181.9674203 0.67 0.67_195.9548n 176.9373256 0.67 0.67_196.0593n 195.0519895 0.67 0.67_198.9193m/z 198.9193015 0.67 0.67_204.0057m/z 204.0056651 0.67 0.67_210.0385n 191.020672 0.67 0.67_242.0813m/z 242.0812576 0.67 0.67_256.0556m/z 256.0555509 0.67 0.67_260.0310n 259.023756 0.67 0.67_288.0854m/z 288.0853765 0.67 0.67_292.0732m/z 292.0732085 0.67 0.67_294.0710m/z 294.0709688 0.67 0.67_315.9139n 314.9066405 0.67 0.67_330.8812m/z 330.8811502 0.67 0.67_333.0603m/z 333.0603112 0.67 0.67_342.9512n 341.9439313 0.67 0.67_354.0738m/z 354.0737534 0.67 0.67_453.0573n 452.0500666 0.67 0.67_551.0326n 572.0081208 0.67 0.68_133.9552n 154.9298265 0.68 0.68_147.0346m/z 147.0346342 0.68 0.68_171.0072m/z 171.007239 0.68 0.68_289.0338m/z 289.0337762 0.68 0.68_42.0117n 78.96028658 0.68 0.68_423.0771n 444.0533793 0.68 0.70_111.9480n 156.9272542 0.70 0.70_116.0370m/z 116.0370375 0.70 0.70_236.0795m/z 236.0794616 0.70 0.70_324.0948m/z 324.0947802 0.70 0.70_361.0780n 382.0526924 0.70 0.72_130.0638m/z 130.0638262 0.72 0.72_377.0864m/z 377.086373 0.72 0.72_379.0842m/z 379.0842335 0.72 0.72_439.0872m/z 439.0872404 0.72 0.72_445.0546m/z 445.0546128 0.72 0.74_160.0631m/z 160.0631218 0.74 0.74_193.8168m/z 193.816813 0.74 0.74_195.8122m/z 195.8122476 0.74 0.74_197.8092m/z 197.8092425 0.74 0.74_199.8065m/z 199.8065258 0.74 0.74_201.8037m/z 201.8037341 0.74 0.74_253.0510m/z 253.0510325 0.74 0.74_300.0501m/z 300.0500755 0.74 0.75_125.8752m/z 125.8751542 0.75 0.75_127.8724m/z 127.8723504 0.75 0.75_245.0445m/z 245.0445017 0.75 0.75_258.0653m/z 258.065269 0.75 0.75_274.1052m/z 274.1052124 0.75 0.75_358.0071m/z 358.0070811 0.75 0.75_425.0817m/z 425.0816947 0.75 0.75_539.1385m/z 539.1384769 0.75 0.75_541.1366m/z 541.1366212 0.75 0.75_601.1387m/z 601.1386832 0.75 0.75_701.1910m/z 701.1909781 0.75 0.79_152.9976m/z 152.9976066 0.79 0.79_306.0830m/z 306.0830322 0.79 0.79_323.0534n 304.0356076 0.79 0.81_523.0764m/z 523.0763599 0.81 0.82_275.0900m/z 275.0900014 0.82 0.84_133.0160m/z 133.0159634 0.84 0.84_158.8484m/z 158.8484432 0.84 0.84_160.8437m/z 160.8436608 0.84 0.84_162.8406m/z 162.840573 0.84 0.84_164.8376m/z 164.8376176 0.84 0.86_143.0000m/z 142.9999995 0.86 0.86_173.0102m/z 173.0102489 0.86 0.86_186.8657m/z 186.8657154 0.86 0.86_188.8634m/z 188.8633503 0.86 0.86_226.9980m/z 226.9979525 0.86 0.86_229.0032m/z 229.0031601 0.86 0.86_99.0103m/z 99.01026042 0.86 0.87_115.0051m/z 115.0051474 0.87 0.87_152.0038m/z 152.0037692 0.87 0.87_175.0258m/z 175.0257805 0.87 0.87_232.9850m/z 232.9849968 0.87 0.87_294.0305m/z 294.0305068 0.87 0.87_294.9834m/z 294.9834018 0.87 0.87_373.0397m/z 373.0396894 0.87 0.87_71.0150m/z 71.01503471 0.87 0.87_87.0101m/z 87.01006022 0.87 0.89_113.0251m/z 113.0251047 0.89 0.89_234.9819m/z 234.9818969 0.89 0.89_352.0653n 389.0149499 0.89 0.89_430.9986m/z 430.9985896 0.89 0.89_59.0150m/z 59.01504874 0.89 0.89_629.1359m/z 629.1358972 0.89 0.91_112.0420m/z 112.0420417 0.91 0.91_606.0742m/z 606.07419 0.91 0.93_331.0297m/z 331.0296672 0.93 0.94_126.9069m/z 126.9069455 0.94 0.96_264.9220m/z 264.9219888 0.96 0.96_266.9195m/z 266.9194831 0.96 0.96_299.8926m/z 299.8925774 0.96 0.98_263.9146m/z 263.9145531 0.98 1.01_166.0191m/z 166.0190687 1.01 1.04_242.0798m/z 242.079758 1.04 1.06_606.0755m/z 606.0754946 1.06 1.08_125.8751m/z 125.8750991 1.08 1.10_179.9371n 178.9217242 1.10 1.10_231.9695m/z 231.9694819 1.10 1.10_232.9760m/z 232.9759623 1.10 1.10_89.0258m/z 89.02582392 1.10 1.11_119.0350m/z 119.0350158 1.11 1.11_145.0157m/z 145.0157346 1.11 1.11_146.9845m/z 146.9845101 1.11 1.11_150.0435m/z 150.0435199 1.11 1.11_180.9185m/z 180.9185064 1.11 1.11_201.0394m/z 201.0393884 1.11 1.11_307.0372m/z 307.0372172 1.11 1.13_111.0217m/z 111.0216563 1.13 1.13_187.0429m/z 187.0428534 1.13 1.13_249.0561m/z 249.0561467 1.13 1.15_243.0637m/z 243.0637115 1.15 1.16_114.0212m/z 114.0211541 1.16 1.16_130.0526m/z 130.0526451 1.16 1.16_175.0498n 174.0418778 1.16 1.16_263.9379m/z 263.9379161 1.16 1.18_322.0522m/z 322.0521855 1.18 1.22_147.0315m/z 147.0315245 1.22 1.22_210.0898m/z 210.0897623 1.22 1.22_273.0973n 272.0900683 1.22 1.22_306.0773m/z 306.0772617 1.22 1.22_307.0850n 328.0596734 1.22 1.22_336.0873m/z 336.0873285 1.22 1.22_613.1597m/z 613.1597163 1.22 1.22_630.1627n 667.0770099 1.22 1.22_643.1705m/z 643.1705354 1.22 1.22_920.2446m/z 920.2445897 1.22 1.23_128.0369m/z 128.0369346 1.23 1.23_143.0475m/z 143.0475344 1.23 1.23_160.0089m/z 160.0089377 1.23 1.23_177.0352m/z 177.0351619 1.23 1.23_179.0462m/z 179.0462241 1.23 1.23_304.0623m/z 304.0623084 1.23 1.23_338.0676m/z 338.067584 1.23 1.23_404.0463m/z 404.0462898 1.23 1.23_635.1425m/z 635.1424612 1.23 1.23_666.0713m/z 666.0713318 1.23 1.25_359.9966m/z 359.9966289 1.25 1.25_657.1249m/z 657.1249284 1.25 1.27_358.9895m/z 358.9895203 1.27 1.27_426.0311m/z 426.0311014 1.27 1.30_346.0564m/z 346.0563596 1.30 1.30_606.0745m/z 606.0745423 1.30 1.30_653.1369m/z 653.1369314 1.30 1.37_167.0226m/z 167.0226 1.37 1.42_121.0373m/z 121.0372627 1.42 1.49_128.0370m/z 128.0369872 1.49 1.49_135.0327m/z 135.0327373 1.49 1.49_137.0471m/z 137.0471 1.49 1.49_190.9693m/z 190.9693456 1.49 1.49_192.9909m/z 192.9909299 1.49 1.49_203.0181m/z 203.0180556 1.49 1.49_224.9280m/z 224.9279825 1.49 1.49_234.9576m/z 234.9576312 1.49 1.49_293.0533m/z 293.0533184 1.49 1.49_92.0266m/z 92.02658412 1.49 1.63_111.0191m/z 111.0190991 1.63 1.63_289.1292n 288.1218911 1.63 1.65_305.0190m/z 305.0190387 1.65 1.71_172.9547m/z 172.9547138 1.71 1.71_179.9946n 216.9438071 1.71 1.71_73.0308m/z 73.03076843 1.71 1.78_174.9555m/z 174.9555021 1.78 1.78_554.1234m/z 554.1233906 1.78 1.80_151.0278m/z 151.0277601 1.80 1.87_163.0385m/z 163.0385317 1.87 1.87_180.0679m/z 180.0678677 1.87 1.87_248.0551m/z 248.0550559 1.87 1.87_383.1231m/z 383.1230621 1.87 1.92_189.0416m/z 189.0415543 1.92 1.94_129.0215m/z 129.0214858 1.94 1.94_160.9195m/z 160.9194867 1.94 1.99_229.0715m/z 229.0715002 1.99 1.99_261.0080m/z 261.0079922 1.99 10.04_201.1146m/z 201.1146352 10.04 10.09_182.1199m/z 182.1199284 10.09 10.09_225.1255m/z 225.1254728 10.09 10.09_473.2390m/z 473.238953 10.09 10.09_541.2257m/z 541.2256911 10.09 10.09_721.3506m/z 721.3506288 10.09 10.11_293.1138m/z 293.1137853 10.11 10.11_334.1091n 355.0838141 10.11 10.11_379.0547m/z 379.0546755 10.11 10.12_213.1148m/z 213.1147811 10.12 10.18_329.1768m/z 329.1768117 10.18 10.23_159.1038m/z 159.1037811 10.23 10.23_185.1195m/z 185.1195403 10.23 10.29_677.3421m/z 677.3421051 10.29 10.33_187.1351m/z 187.1350994 10.33 10.38_105.0207m/z 105.020711 10.38 10.45_254.1772m/z 254.1771718 10.45 10.47_331.1922m/z 331.1922298 10.47 10.47_407.2085m/z 407.2085475 10.47 10.50_539.2499m/z 539.2499465 10.50 10.50_607.2368m/z 607.2367587 10.50 10.60_228.1621m/z 228.1620903 10.60 10.72_329.1915m/z 329.1914843 10.72 10.74_481.2450m/z 481.2449969 10.74 10.76_539.2504m/z 539.2503702 10.76 10.79_173.1193m/z 173.11934 10.79 10.79_537.2344m/z 537.2343876 10.79 10.91_221.0831m/z 221.0830615 10.91 11.03_215.1302m/z 215.1301854 11.03 11.17_221.1194m/z 221.1194374 11.17 11.20_199.1352m/z 199.1351885 11.20 11.26_481.2450m/z 481.2449895 11.26 11.32_201.1508m/z 201.1508455 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