#METABOLOMICS WORKBENCH daniela_rago_20190710_064201 DATATRACK_ID:1762 STUDY_ID:ST001212 ANALYSIS_ID:AN002046 PROJECT_ID:PR000823 VERSION 1 CREATED_ON August 5, 2019, 3:11 pm #PROJECT PR:PROJECT_TITLE Fish-oil supplementation in pregnancy, child metabolomics and asthma risk PR:PROJECT_TYPE Untargeted metabolomics PR:PROJECT_SUMMARY We investigated potential metabolic mechanisms using untargeted liquid PR:PROJECT_SUMMARY chromatography-mass spectrometry-based metabolomics on 577 plasma samples PR:PROJECT_SUMMARY collected at age 6 months in the offspring of mothers participating in the n-3 PR:PROJECT_SUMMARY LCPUFA randomised controlled trial. First, associations between the n-3 LCPUFA PR:PROJECT_SUMMARY supplementation groups and child metabolite levels were investigated using PR:PROJECT_SUMMARY univariate regression models and data-driven partial least square discriminant PR:PROJECT_SUMMARY analyses (PLS-DA). Second, we analysed the association between the n-3 LCPUFA PR:PROJECT_SUMMARY metabolomic profile and asthma development using Cox-regression. Third, we PR:PROJECT_SUMMARY conducted mediation analyses to investigate whether the protective effect of n-3 PR:PROJECT_SUMMARY LCPUFA on asthma was mediated via the metabolome. PR:INSTITUTE Copenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte PR:INSTITUTE Hospital, University of Copenhagen, Copenhagen, Denmark PR:DEPARTMENT Copenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte PR:DEPARTMENT Hospital PR:LAST_NAME Rago PR:FIRST_NAME Daniela PR:ADDRESS Ledreborg Alle 34, Gentofte, DK, 2820, Denmark PR:EMAIL daniela.rago@dbac.dk PR:PHONE +45-39777360 #STUDY ST:STUDY_TITLE Fish-oil supplementation in pregnancy, child metabolomics and asthma risk ST:STUDY_SUMMARY We investigated potential metabolic mechanisms using untargeted liquid ST:STUDY_SUMMARY chromatography-mass spectrometry-based metabolomics on 577 plasma samples ST:STUDY_SUMMARY collected at age 6 months in the offspring of mothers participating in the n-3 ST:STUDY_SUMMARY LCPUFA randomized controlled trial. First, associations between the n-3 LCPUFA ST:STUDY_SUMMARY supplementation groups and child metabolite levels were investigated using ST:STUDY_SUMMARY univariate regression models and data-driven partial least square discriminant ST:STUDY_SUMMARY analyses (PLS-DA). Second, we analyzed the association between the n-3 LCPUFA ST:STUDY_SUMMARY metabolomic profile and asthma development using Cox-regression. Third, we ST:STUDY_SUMMARY conducted mediation analyses to investigate whether the protective effect of n-3 ST:STUDY_SUMMARY LCPUFA on asthma was mediated via the metabolome ST:INSTITUTE Copenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte ST:INSTITUTE Hospital, University of Copenhagen ST:DEPARTMENT Copenhagen Prospective Studies on Asthma in Childhood, Herlev and Gentofte ST:DEPARTMENT Hospital ST:LAST_NAME Rago ST:FIRST_NAME Daniela ST:ADDRESS Ledreborg Alle 34, DK-2820 Gentofte; Denmark ST:EMAIL daniela.rago@dbac.dk ST:PHONE (+45) 39777360 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 4-8 months SU:GENDER Male and female SU:HUMAN_ETHNICITY Mainly Caucasian SU:HUMAN_TRIAL_TYPE RCT #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - V1 Age:6 SUBJECT_SAMPLE_FACTORS - V2 Age:6 SUBJECT_SAMPLE_FACTORS - 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V455 Age:6 SUBJECT_SAMPLE_FACTORS - V456 Age:6 SUBJECT_SAMPLE_FACTORS - V457 Age:6 SUBJECT_SAMPLE_FACTORS - V458 Age:6 SUBJECT_SAMPLE_FACTORS - V459 Age:6 SUBJECT_SAMPLE_FACTORS - V460 Age:6 SUBJECT_SAMPLE_FACTORS - V461 Age:6 SUBJECT_SAMPLE_FACTORS - V462 Age:6 SUBJECT_SAMPLE_FACTORS - V463 Age:6 SUBJECT_SAMPLE_FACTORS - V464 Age:6 SUBJECT_SAMPLE_FACTORS - V465 Age:6 SUBJECT_SAMPLE_FACTORS - V466 Age:6 SUBJECT_SAMPLE_FACTORS - V467 Age:6 SUBJECT_SAMPLE_FACTORS - V468 Age:6 SUBJECT_SAMPLE_FACTORS - V469 Age:6 SUBJECT_SAMPLE_FACTORS - V470 Age:6 SUBJECT_SAMPLE_FACTORS - V471 Age:6 SUBJECT_SAMPLE_FACTORS - V472 Age:6 SUBJECT_SAMPLE_FACTORS - V473 Age:6 SUBJECT_SAMPLE_FACTORS - V474 Age:6 SUBJECT_SAMPLE_FACTORS - V475 Age:6 SUBJECT_SAMPLE_FACTORS - V476 Age:6 SUBJECT_SAMPLE_FACTORS - V477 Age:6 SUBJECT_SAMPLE_FACTORS - V478 Age:6 SUBJECT_SAMPLE_FACTORS - V479 Age:6 SUBJECT_SAMPLE_FACTORS - V480 Age:6 SUBJECT_SAMPLE_FACTORS - V481 Age:6 SUBJECT_SAMPLE_FACTORS - V482 Age:6 SUBJECT_SAMPLE_FACTORS - V483 Age:6 SUBJECT_SAMPLE_FACTORS - V484 Age:6 SUBJECT_SAMPLE_FACTORS - V485 Age:6 SUBJECT_SAMPLE_FACTORS - V486 Age:6 SUBJECT_SAMPLE_FACTORS - V487 Age:6 SUBJECT_SAMPLE_FACTORS - V488 Age:6 SUBJECT_SAMPLE_FACTORS - V489 Age:6 SUBJECT_SAMPLE_FACTORS - V490 Age:6 SUBJECT_SAMPLE_FACTORS - V491 Age:6 SUBJECT_SAMPLE_FACTORS - V492 Age:6 SUBJECT_SAMPLE_FACTORS - V493 Age:6 SUBJECT_SAMPLE_FACTORS - V494 Age:6 SUBJECT_SAMPLE_FACTORS - V495 Age:6 SUBJECT_SAMPLE_FACTORS - V496 Age:6 SUBJECT_SAMPLE_FACTORS - V497 Age:6 SUBJECT_SAMPLE_FACTORS - V498 Age:6 SUBJECT_SAMPLE_FACTORS - V499 Age:6 SUBJECT_SAMPLE_FACTORS - V500 Age:6 SUBJECT_SAMPLE_FACTORS - V501 Age:6 SUBJECT_SAMPLE_FACTORS - V502 Age:6 SUBJECT_SAMPLE_FACTORS - V503 Age:6 SUBJECT_SAMPLE_FACTORS - V504 Age:6 SUBJECT_SAMPLE_FACTORS - V505 Age:6 SUBJECT_SAMPLE_FACTORS - V506 Age:6 SUBJECT_SAMPLE_FACTORS - V507 Age:6 SUBJECT_SAMPLE_FACTORS - V508 Age:6 SUBJECT_SAMPLE_FACTORS - V509 Age:6 SUBJECT_SAMPLE_FACTORS - V510 Age:6 SUBJECT_SAMPLE_FACTORS - V511 Age:6 SUBJECT_SAMPLE_FACTORS - V512 Age:6 SUBJECT_SAMPLE_FACTORS - V513 Age:6 SUBJECT_SAMPLE_FACTORS - V514 Age:6 SUBJECT_SAMPLE_FACTORS - V515 Age:6 SUBJECT_SAMPLE_FACTORS - V516 Age:6 SUBJECT_SAMPLE_FACTORS - V517 Age:6 SUBJECT_SAMPLE_FACTORS - V518 Age:6 SUBJECT_SAMPLE_FACTORS - V519 Age:6 SUBJECT_SAMPLE_FACTORS - V520 Age:6 SUBJECT_SAMPLE_FACTORS - V521 Age:6 SUBJECT_SAMPLE_FACTORS - V522 Age:6 SUBJECT_SAMPLE_FACTORS - V523 Age:6 SUBJECT_SAMPLE_FACTORS - V524 Age:6 SUBJECT_SAMPLE_FACTORS - V525 Age:6 SUBJECT_SAMPLE_FACTORS - V526 Age:6 SUBJECT_SAMPLE_FACTORS - V527 Age:6 SUBJECT_SAMPLE_FACTORS - V528 Age:6 SUBJECT_SAMPLE_FACTORS - V529 Age:6 SUBJECT_SAMPLE_FACTORS - V530 Age:6 SUBJECT_SAMPLE_FACTORS - V531 Age:6 SUBJECT_SAMPLE_FACTORS - V532 Age:6 SUBJECT_SAMPLE_FACTORS - V533 Age:6 SUBJECT_SAMPLE_FACTORS - V534 Age:6 SUBJECT_SAMPLE_FACTORS - V535 Age:6 SUBJECT_SAMPLE_FACTORS - V536 Age:6 SUBJECT_SAMPLE_FACTORS - V537 Age:6 SUBJECT_SAMPLE_FACTORS - V538 Age:6 SUBJECT_SAMPLE_FACTORS - V539 Age:6 SUBJECT_SAMPLE_FACTORS - V540 Age:6 SUBJECT_SAMPLE_FACTORS - V541 Age:6 SUBJECT_SAMPLE_FACTORS - V542 Age:6 SUBJECT_SAMPLE_FACTORS - V543 Age:6 SUBJECT_SAMPLE_FACTORS - V544 Age:6 SUBJECT_SAMPLE_FACTORS - V545 Age:6 SUBJECT_SAMPLE_FACTORS - V546 Age:6 SUBJECT_SAMPLE_FACTORS - V547 Age:6 SUBJECT_SAMPLE_FACTORS - V548 Age:6 SUBJECT_SAMPLE_FACTORS - V549 Age:6 SUBJECT_SAMPLE_FACTORS - V550 Age:6 SUBJECT_SAMPLE_FACTORS - V551 Age:6 SUBJECT_SAMPLE_FACTORS - V552 Age:6 SUBJECT_SAMPLE_FACTORS - V553 Age:6 SUBJECT_SAMPLE_FACTORS - V554 Age:6 SUBJECT_SAMPLE_FACTORS - V555 Age:6 SUBJECT_SAMPLE_FACTORS - V556 Age:6 SUBJECT_SAMPLE_FACTORS - V557 Age:6 SUBJECT_SAMPLE_FACTORS - V558 Age:6 SUBJECT_SAMPLE_FACTORS - V559 Age:6 SUBJECT_SAMPLE_FACTORS - V560 Age:6 SUBJECT_SAMPLE_FACTORS - V561 Age:6 SUBJECT_SAMPLE_FACTORS - V562 Age:6 SUBJECT_SAMPLE_FACTORS - V563 Age:6 SUBJECT_SAMPLE_FACTORS - V564 Age:6 SUBJECT_SAMPLE_FACTORS - V565 Age:6 SUBJECT_SAMPLE_FACTORS - V566 Age:6 SUBJECT_SAMPLE_FACTORS - V567 Age:6 SUBJECT_SAMPLE_FACTORS - V568 Age:6 SUBJECT_SAMPLE_FACTORS - V569 Age:6 SUBJECT_SAMPLE_FACTORS - V570 Age:6 SUBJECT_SAMPLE_FACTORS - V571 Age:6 SUBJECT_SAMPLE_FACTORS - V572 Age:6 SUBJECT_SAMPLE_FACTORS - V573 Age:6 SUBJECT_SAMPLE_FACTORS - V574 Age:6 SUBJECT_SAMPLE_FACTORS - V575 Age:6 SUBJECT_SAMPLE_FACTORS - V576 Age:6 SUBJECT_SAMPLE_FACTORS - V577 Age:6 #COLLECTION CO:COLLECTION_SUMMARY The blood sample was collected in an EDTA tube and left at room temperature for CO:COLLECTION_SUMMARY 30 min and thereafter spun down for 10 min at 4000 rpm. The supernatant was CO:COLLECTION_SUMMARY collected and stored at -80 C until further analysis. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY The pregnant women were enrolled in a double-blind, randomized controlled trial TR:TREATMENT_SUMMARY (DB-RCT)3. At enrollment during pregnancy week 22-26, the women were randomly TR:TREATMENT_SUMMARY assigned in a 1:1 ratio to receive 2.4 g per day of n−3 long-chain TR:TREATMENT_SUMMARY polyunsaturated fatty acids (LCPUFAs) in triacylglycerol form from fish oil TR:TREATMENT_SUMMARY capsules containing 55% eicosapentaenoic acid (20:5n–3, EPA) and 37% TR:TREATMENT_SUMMARY docosahexaenoic acid (22:6n–3, DHA (Incromega TG33/22, Croda, Health Care) or TR:TREATMENT_SUMMARY placebo in the form of lookalike olive oil capsules, containing 72% n–9 oleic TR:TREATMENT_SUMMARY acid and 12% n−6 linoleic acid (Pharma-Tech A/S). The women continued taking TR:TREATMENT_SUMMARY the daily supplement until 1 week after delivery, where they visited the TR:TREATMENT_SUMMARY research unit with their child. A subgroup of the pregnant women (n=623) also TR:TREATMENT_SUMMARY participated in another DB-RCT with a nested 2x2 factorial design in which they TR:TREATMENT_SUMMARY were assigned to 2400 IU of vitamin D per day or placebo from pregnancy week TR:TREATMENT_SUMMARY 22-26 till 1 week postpartum on top of the recommended pregnancy supplement of TR:TREATMENT_SUMMARY 400 IU/d; i.e. the women received 2800 vs. 400 IU/d of vitamin D, which did not TR:TREATMENT_SUMMARY significantly affect the offspring’s risk of developing asthma #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The sample preparation was done using the automated system MicroLab STAR® SP:SAMPLEPREP_SUMMARY system from Hamilton Company. Prior to extraction, the samples were fortified SP:SAMPLEPREP_SUMMARY with recovery standards for quality control (QC) purposes. Methanol was used to SP:SAMPLEPREP_SUMMARY extract the metabolites and precipitate the proteins during vigorous shaking for SP:SAMPLEPREP_SUMMARY 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The resulting SP:SAMPLEPREP_SUMMARY extract was divided into four aliquots to be subsequently analyzed by LC-MS/MS SP:SAMPLEPREP_SUMMARY comprising of four platforms. Samples were placed on a TurboVap® (Zymark) to SP:SAMPLEPREP_SUMMARY remove the organic solvent and stored overnight under nitrogen before SP:SAMPLEPREP_SUMMARY preparation for LC-MS/MS analysis. SP:PROCESSING_STORAGE_CONDITIONS -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:METHODS_FILENAME daniela_rago_CH_LC-MS_methods.pdf #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The MS analysis alternated between MS and data-dependent MSn scans using dynamic MS:MS_COMMENTS exclusion. The scan range varied slighted between methods but covered 70-1000 MS:MS_COMMENTS m/z. Raw data was extracted, peak-identified and QC processed using MS:MS_COMMENTS Metabolon’s hardware and software. Compounds were identified by comparison to MS:MS_COMMENTS library entries of purified standards or recurrent unknown entities. MS:MS_RESULTS_FILE ST001212_AN002046_Results.txt UNITS:peak area Has m/z:No Has RT:No RT units:No RT data #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples V1 V2 V3 V4 V5 V6 V7 V8 V9 V10 V11 V12 V13 V14 V15 V16 V17 V18 V19 V20 V21 V22 V23 V24 V25 V26 V27 V28 V29 V30 V31 V32 V33 V34 V35 V36 V37 V38 V39 V40 V41 V42 V43 V44 V45 V46 V47 V48 V49 V50 V51 V52 V53 V54 V55 V56 V57 V58 V59 V60 V61 V62 V63 V64 V65 V66 V67 V68 V69 V70 V71 V72 V73 V74 V75 V76 V77 V78 V79 V80 V81 V82 V83 V84 V85 V86 V87 V88 V89 V90 V91 V92 V93 V94 V95 V96 V97 V98 V99 V100 V101 V102 V103 V104 V105 V106 V107 V108 V109 V110 V111 V112 V113 V114 V115 V116 V117 V118 V119 V120 V121 V122 V123 V124 V125 V126 V127 V128 V129 V130 V131 V132 V133 V134 V135 V136 V137 V138 V139 V140 V141 V142 V143 V144 V145 V146 V147 V148 V149 V150 V151 V152 V153 V154 V155 V156 V157 V158 V159 V160 V161 V162 V163 V164 V165 V166 V167 V168 V169 V170 V171 V172 V173 V174 V175 V176 V177 V178 V179 V180 V181 V182 V183 V184 V185 V186 V187 V188 V189 V190 V191 V192 V193 V194 V195 V196 V197 V198 V199 V200 V201 V202 V203 V204 V205 V206 V207 V208 V209 V210 V211 V212 V213 V214 V215 V216 V217 V218 V219 V220 V221 V222 V223 V224 V225 V226 V227 V228 V229 V230 V231 V232 V233 V234 V235 V236 V237 V238 V239 V240 V241 V242 V243 V244 V245 V246 V247 V248 V249 V250 V251 V252 V253 V254 V255 V256 V257 V258 V259 V260 V261 V262 V263 V264 V265 V266 V267 V268 V269 V270 V271 V272 V273 V274 V275 V276 V277 V278 V279 V280 V281 V282 V283 V284 V285 V286 V287 V288 V289 V290 V291 V292 V293 V294 V295 V296 V297 V298 V299 V300 V301 V302 V303 V304 V305 V306 V307 V308 V309 V310 V311 V312 V313 V314 V315 V316 V317 V318 V319 V320 V321 V322 V323 V324 V325 V326 V327 V328 V329 V330 V331 V332 V333 V334 V335 V336 V337 V338 V339 V340 V341 V342 V343 V344 V345 V346 V347 V348 V349 V350 V351 V352 V353 V354 V355 V356 V357 V358 V359 V360 V361 V362 V363 V364 V365 V366 V367 V368 V369 V370 V371 V372 V373 V374 V375 V376 V377 V378 V379 V380 V381 V382 V383 V384 V385 V386 V387 V388 V389 V390 V391 V392 V393 V394 V395 V396 V397 V398 V399 V400 V401 V402 V403 V404 V405 V406 V407 V408 V409 V410 V411 V412 V413 V414 V415 V416 V417 V418 V419 V420 V421 V422 V423 V424 V425 V426 V427 V428 V429 V430 V431 V432 V433 V434 V435 V436 V437 V438 V439 V440 V441 V442 V443 V444 V445 V446 V447 V448 V449 V450 V451 V452 V453 V454 V455 V456 V457 V458 V459 V460 V461 V462 V463 V464 V465 V466 V467 V468 V469 V470 V471 V472 V473 V474 V475 V476 V477 V478 V479 V480 V481 V482 V483 V484 V485 V486 V487 V488 V489 V490 V491 V492 V493 V494 V495 V496 V497 V498 V499 V500 V501 V502 V503 V504 V505 V506 V507 V508 V509 V510 V511 V512 V513 V514 V515 V516 V517 V518 V519 V520 V521 V522 V523 V524 V525 V526 V527 V528 V529 V530 V531 V532 V533 V534 V535 V536 V537 V538 V539 V540 V541 V542 V543 V544 V545 V546 V547 V548 V549 V550 V551 V552 V553 V554 V555 V556 V557 V558 V559 V560 V561 V562 V563 V564 V565 V566 V567 V568 V569 V570 V571 V572 V573 V574 V575 V576 V577 Factors Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 Age:6 1-arachidonoyl-GPI (20:4) 6979431.5 8577370 7601532 4171229.5 3526522.75 4416202.5 3658857 2774698 2193145 3947124.75 4220980 4157944.25 3034602.25 5883754.5 1758412.375 2655479.75 3813213.25 2195316 3587990 3336667.25 4633997 2533132.25 3382633.75 4196062.5 3339036.5 1939181.875 5336197.5 6243789.5 2767580.75 7123168 3086700.75 5743523 1878897.875 3736938.75 2932415.75 4025705.25 1711420.375 3361540.25 4398564.5 3596541.25 3677764.5 4451763.5 3351636.75 3640686 2327593.25 1735453.5 2868161 4222398 1838980 6030798 5243619.5 1885165.5 4513336.5 3089212.25 1772462.25 1201367.625 9485669 4642567 1635537.75 3813075.25 3631498.75 5872159 7630038 3736280.5 3991255.5 4932622.5 3959296 4105692.5 5339110 2988931.5 2338521.5 4397213.5 4671822.5 2650924.5 3938621 4558356 3475575 3158985 3648178.25 4245684 7225873 2114100.75 3413995.75 3437315.75 6910189 3478946.25 3702885.75 2843711.75 4453781 4091186 4194865 3859119.25 7271802.5 2606832.5 4459341.5 4365451 2280590.5 3980996.5 2272868.5 5138829.5 3482205.25 5527811 3777290.75 6151147 2555800.5 3145122.25 2551389.75 3443388.25 4420281.5 4739039 5422911 2731344.25 5167453 3546882 4397054.5 4973445 3325778.75 5297189.5 1960147.25 3378195.75 5648216 7927802 3885193.25 2376366 5380760.5 2744747.5 2258660.5 3484196.5 3945072.5 7878237 3802884.5 4958304.25 5291271 2706829.25 5858661 3615830.25 7568056.5 2794724.5 3746953 4278541 10208191 2649157.25 3588274.25 2628337 2010077.875 5209184 3921785.5 2305076 3620758.25 8194859.5 6424889 2378260.25 3454487.5 2975511.75 4225987.5 5707113.5 2354895.5 4046417.25 6898603 6665667 7728565.5 1573590.75 2004562.75 5748455 5196736.5 4685040.5 5856622.5 4840712 4304776 2613122 2313740 2602701.75 4007959.5 4231241.5 6012481 9560229 5828858 3367549 3684564.75 7520146 4835860.5 6851514 5963391.5 5638361.5 5677818.5 4010377.5 2580838 3162727.25 1214526 4054497.5 3238955 5261443.5 4170786 5576406 1676082.5 3916763.75 4355758 3344993.75 5850440.5 2871677 3355181.25 5462479.5 4453546.5 6246757.5 4043668.75 1311226.125 5216818 1995585.625 3635301.75 5416583.5 2088181.5 3372504.75 4201577 4623286 3845308.75 3384190.75 3778163 2020747.75 2733402.25 3210447 4926606 2331444.75 6087618.5 2451283.75 2540274 2116500.5 3964974.75 3983594.25 3685482.5 4968803.5 7089652 5039475.5 5875288 3193262 3423035 2815532 3034510.5 4472672.5 1628653.125 4436452.5 3430482 5244213.5 5992909 5715380 3381710 6393681.5 2742156 5874704.5 4273860.5 5342332.5 3181880 1909645.625 5963477 3619074 4621018 4530725 6216126 6306507 7383361 5035520 4517191 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205746240 213712608 126648800 30379916 106373176 133782984 130338552 36890808 51451572 24833720 74852488 160159488 164050752 130137592 40110232 256132384 79353624 89108520 48273780 45530784 197007856 172984016 203358144 76291016 183012256 25707356 164799296 271535072 28841094 51871328 51963048 131560272 180924528 41692184 62798800 197488688 140147424 21478740 176859488 39629680 43944680 191788944 56547640 36925252 167741552 167137136 132025432 107561904 239463552 24400348 87987832 163056816 39971840 104819536 41915052 38825948 19880350 208954416 151483056 95381584 46981116 205105680 42933844 21246724 248348240 39415540 181689008 111168696 43853284 38054704 148357424 44494524 228319936 50394448 180275424 117906856 212159984 188464352 128439848 163386592 45151676 183318560 35773424 49410404 256410560 251750400 275461504 229648176 119564432 175859760 76976320 53577740 42862240 94721880 45520384 28962016 63899772 212741856 169150176 117716576 39006368 249343360 148150944 33981216 268930912 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177170336 127689352 174826464 30795710 42104920 134701376 29593558 24502988 79515248 194616192 148781728 148454416 196954528 88513320 198161232 199018080 165236576 126643320 29469618 64407156 32491710 190244544 60584992 249689616 52114548 240854656 62776776 123459272 53463096 46968692 206026384 54244620 148825120 222264048 223177808 179222256 205259248 93678504 243369328 229457024 100081344 119624736 124079360 90044536 124696560 187725648 180918384 45920548 201229312 160949088 191736688 198760672 171932864 93537576 72457184 10-heptadecenoate (17:1n7) 16153663 18481266 107133544 8123403 3596566.5 10027946 14393832 13670763 3899435.5 10806154 3726653.5 9104083 5583159.5 31608420 7199491 5618447 3452946 9196642 31807710 15075291 24984648 21987470 11352345 14531842 20872544 3822281.5 30637542 5137420.5 14231478 17125760 12638787 21872288 7452987 17475058 5572206 5196309 27980280 11151479 17664438 12296449 6339473.5 21482770 7470664 5801828.5 10866099 5150082 5718310.5 6369198 4576892 6089782 13678147 2890306.75 3622770.5 3776153.75 4855724 4260910.5 16072615 20239732 6270132.5 13817528 6894981 21844136 60174596 6185716.5 5830997 17705838 10902318 18924790 32495942 20349260 8953932 5689753 9384521 9286345 4126468.5 22140278 4119256.25 9711540 2905587.25 11111685 20184436 10744173 19894524 7254833 16744705 9579778 20731872 8838501 12002489 11634654 8965555 5547783 29849700 9191187 34440084 40572320 4481368.5 14806242 30492930 28189526 7320389 18351178 9163609 40830360 18002294 18524708 2933554.25 15578688 38850808 3842125 18899380 6754094.5 7694023.5 10464980 28276914 23697274 8879390 23887220 3106473.5 3973331.25 29147678 66026368 7190352.5 33547274 8653010 18313648 2994229.25 4920908 18773200 31521236 15902231 6391168.25 14213851 3313809.25 11241299 36089740 46874668 23651846 4082147.75 21107312 41332432 9482842 3973253.25 18099946 9136590 32848628 10970341 9873605 7885038.5 16659606 34449028 7548126.5 4546769.5 2650069.25 12295183 40465016 3007896.25 5710020.5 22678878 22077334 14049313 12776452 1831351 28312200 25978546 4636323.5 13497965 5728102.5 40548808 4656912.5 3073394.5 21892466 4564197.5 12066017 20605294 26003332 5139298 8071986 9171245 29334084 24303994 22101514 27494398 14696869 8293117.5 3613271.5 2321508.75 2280903.25 5105393.5 9618543 2866967.5 1817809.75 10844106 26232832 5564812.5 9298991 18861034 10166377 6596381 2403103.75 8446155 14640051 8014227 33879252 9099714 25825712 11715565 30941258 8517401 20901780 5102349.5 14416402 7198245 11022970 17603352 17985246 22766528 4663132 2772898.5 15521182 31059064 2883577.75 38309820 4444443.5 3245823.75 12894864 14303155 13617552 16831442 7900578.5 21553628 10850649 25930018 52460588 3379312 20021596 11456508 24324792 15479468 12443008 16776054 16519992 4056234.75 24158448 3034405.5 12415406 5133047.5 21670480 35368016 26887070 20691780 6683902.5 14556812 5883765.5 24277716 31371126 42816848 8352013.5 47517784 21325574 9348692 11244010 3925934 21069926 15863928 10425878 8032910 22484964 6306995.5 12954563 6258524 19637234 5262798 7038550 6818679 8718275 3683576 33831868 20965566 17844678 31168604 20422182 31326880 17215518 10246570 14859595 2218006 26884366 6585828.5 9542548 3106110.5 12044327 41068040 4005068.5 4396621 4493178 45922684 7000128 24180202 8796346 4088301.75 34628200 21765208 8885405 22730666 10293530 13572056 27700950 5532855 3515400.25 52142376 14474679 5611222 10106788 10751449 17290548 11596754 18624036 7664210 46406136 4841231 5646508.5 11705507 4304429.5 13543705 8217603.5 8352886.5 8198000 16316735 14387499 2090146.75 2548215.25 7513496 8117039 18670384 26020442 11077029 17007144 8876412 9738831 38530216 3425052 3757685.5 5732683.5 17906584 23422026 10592114 6044829.5 11406591 15179945 5125209 28317944 11599145 9616259 13013477 4284389 2620861.75 19381306 8044798 19243596 2465197.75 6080887 3173542 4466130 10191141 5020640.5 13488436 13082947 5593518.5 10695874 16189894 13409844 15639577 3762949 33431430 9207356 3432135.25 12836575 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2976304.25 3330900.75 19215092 60398036 5865137 13684752 27742070 5968578 15518315 14349901 4816695.5 45341052 3967587 8855246 7504639 2538193.5 5116423 32795112 38424264 20800428 2612016.5 13326439 16351874 7784253 3803824.5 22036508 1418187.25 26401364 5441172.5 22146920 1801811 9336925 11908027 7617243 6646793 8560317 36157876 12344667 7759293.5 12841389 9556321 3586983.25 10885128 13715058 45507784 6885815.5 16259875 10726744 12057923 2626815 15645115 15781581 2334917.25 3725925.5 3057488.25 16546836 1929071 5457033.5 2117192.5 11836491 4571971 9356682 3794188.25 5529795 10157954 14604450 4832022.5 11739086 11649562 11092380 28044844 17697902 21595222 21811564 3774879.75 6272880.5 17116616 9594557 14313306 34312148 45772896 2712702.5 5445288.5 10179801 36431500 18928512 29729798 5272740 5124378 10-nonadecenoate (19:1n9) 8261578 8997069 38429128 3980019 1914849.75 4211746.5 7459673.5 5426800 2120421.25 5027860 1806853.125 4703941 3183951.5 12686418 3064507.25 3456215 2079602.5 6453463.5 10834497 9494624 6758433 7898053 6307591 5879997 6941863.5 2196507.25 10990321 2647710.75 6266108 11924289 6343562 9827027 3023892.25 7244938 2484651.75 2641447 10402707 6849398.5 7087058 6123572 1832139.5 12087464 3341668 3347203 5817334.5 2775666.75 3832777.5 3653113.25 2887537.5 3770883 7205609.5 1389290.125 1840565.125 2056863 2651814 2664250.75 8876261 10024530 2962262.5 5382351.5 5166264.5 7834929.5 25463860 3608797.75 3604824 11651846 5716387 10506317 8970741 13592763 4742979 3352625.75 5987734.5 4847308 2238667.25 11916920 1716217 6506234.5 1728275.875 7423218.5 8737375 5434044 9027135 4421453.5 11707017 3917226 11444576 3888551.75 6194524.5 9519323 4538366.5 3111439.5 12057354 8372095 12725914 11709847 3138480.25 7492051.5 15168502 16406640 3556683.5 8814817 4483552 19667014 11145446 9364314 1600227.75 7954098.5 15905283 1975899.125 10500706 4624534 3823078.75 5922687.5 9989798 12447193 5699421 13699160 1271078.875 2543012.75 15528907 19002804 3029862.25 13765417 4444702.5 7549489 1891019.875 3038442.75 8304330 9447410 6833230 3648058.375 6577271 1614324.375 6561875.5 14195358 19807816 10621386 1900944.875 10125709 14513932 4461648.5 2085175.25 7259531.5 4901424 12265038 5820708.5 4077382 3122482.5 10025370 16962076 3584117 2654474.25 1479338.25 7531902.5 15538714 1387234.625 3176560.25 7218536.5 12806184 6445338 6356208.5 1326246.75 12943335 10476880 2913740 5034010.5 3383496 16431215 1780728.75 1945249 8809980 2538562 6824913.5 13822917 14682130 3020931.5 4044694 5195701.5 14721245 12549750 10752433 10125429 7140137.5 4401213.5 1861511.375 1611539.375 1483328.625 4229810.5 5352985 1054263.5 918728.5 4708981.5 10059567 2273539.25 4366168 9698347 3840302.5 3305568.75 1724835 5899911 6292177.5 3803276 17231786 3552392.5 10843464 5556452 14480268 2970217.5 10202451 3467278.75 7400809.5 2931230 6929344 10397050 11964960 9769724 2496324.75 1452861.75 6458427 13883312 1880888 23212406 2230203.25 1789593.25 6409554.5 5060472 6950482.5 9519085 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4263475.5 8936704 13646577 7281508 9171845 6734342.5 4713352 19535514 2508361.5 3074555 3037104.25 7074301 12737050 4427734.5 3629650.5 5436207.5 10858495 2689896.75 13199092 4914478 4765761.5 9051235 2457902.75 770964.875 11332739 5216094.5 11581703 1562073 3272288 2064230.625 3726901.5 4883908 2649565.5 9142243 7049829.5 3032908.25 3995956 10934856 11011850 10713139 2801622.25 13678571 6457429.5 1831565.5 6473091.5 3587897.25 1783349 15217951 2428574 3441643.25 2147097.75 6465623.5 4333364 3320316.5 4779025 11461739 9909544 7770488.5 7276316 13219770 6139180.5 2204616 8338546.5 2606772 8667677 6294704.5 8761174 6822967.5 7175612.5 13963584 5318657 3765729.25 10314115 2585815.5 3872872.5 1354470.875 1360490.25 8368850 13678137 7216601 4780012 10651421 6441291.5 8583419 27526386 1722088.375 11821290 2251151.75 1570493.375 1268053.875 10490425 8625872 10458915 14891496 4434266 2672486.25 12087074 4732952 2574402.5 5379546 7733082.5 15833677 10019712 8067338 3035688.75 5467676.5 7963180 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151279.8125 42438.5781 95368.4609 0 55313.9102 71689.8828 52719.1133 69643.2344 59935.6641 45454.8477 22734.5215 77389.6719 63394.5625 49682.7031 55562.5859 53366.4531 44046.9063 57005.543 54330.0313 38728.7461 24225.2246 36331.5586 56972.1563 27137.9531 37777.7148 36604.2695 60087.1211 48314.5117 0 62273.5703 45006.7266 47763.0078 26838.2285 49788.4492 95479.5234 66245.8281 51538.0273 20687.1758 30941.6172 16776.5156 69708.1641 0 229738.3594 44435.9883 62818.707 38437.6445 91262.3984 19991.4707 23808.8945 119954.2109 47439.75 0 36759.1211 49950.5781 53058.8086 31720.0938 54436.4766 56134.3164 33184.25 82375.8281 77992.0156 25391.9434 31153.8145 115845.2031 98507.2656 17959.5859 26284.1328 78951.0234 34176.9531 45331.7188 22001.5098 39189.2969 35671.9961 33101.4102 0 27740.3535 59947.9961 66760.5234 74282.1328 52921.5547 0 52618.6953 87282.9531 59301.6523 94619.1016 0 102143.5625 76679.3281 35208.082 52592.3672 73243.3281 55782.9141 74569.5078 37864.0859 80643.4766 0 43088.0742 60417.4414 68624.7344 36181.6211 54303.1406 42820.3398 29273.1328 26833.9531 39061.6367 0 33407.8516 59121.8164 62078.9102 15024.6514 70718.7266 36852.3516 32111.4102 92649.2656 82065.7188 56514.1992 0 15867.6748 58430.0898 39865.5586 35743.8789 aconitate [cis or trans] 46330900 78311176 50094688 39916252 48845728 58315920 45767920 26449260 47683016 55387844 51090840 46726912 52078652 56370212 29658666 43563768 51586976 34600588 43074892 44937224 65972360 44290220 65235736 47904224 68157440 50605272 54791692 37529244 44511760 76750640 35897576 59369788 64456264 51288996 42598064 40103140 47154540 43950688 37864912 46392960 52717688 64676856 47477172 51096500 41610252 37197212 34546904 43268580 48719228 60343204 44186876 31378468 49263028 43497328 35103264 27180872 59815792 61026692 37782856 45586292 52934680 47669260 83229864 28994112 40956012 51862384 47376112 45594240 44030168 44816664 37452120 47087792 47699236 45862228 50483656 45104036 49232612 51992324 46246520 51354144 59413172 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44454528 55494536 42503916 48931432 42350400 39116724 56532864 40209652 63732316 49090316 56953380 57455480 39059024 55253768 49073932 14178982 50663272 53107592 48989880 41364492 45486620 51742508 62478900 33193664 52244600 38498356 32585746 34228492 48884004 57370416 58474952 43184888 51266264 52023144 33443302 46202460 42980120 41778112 54082984 37564604 46494800 62587492 51170720 41716604 74081720 55258420 27260482 49827224 51663228 61452724 64765836 57722444 49492460 77418552 49327820 48657692 50854144 72778328 57200464 45483824 70459456 33927136 48754336 35990532 64158476 43860652 45345320 69278560 53426024 65431180 46619844 65904228 45147080 38682836 58508020 40774116 55218380 59369624 67068652 37102108 51312624 56690508 59752952 45914952 53201648 64672292 65626896 63941780 68599216 30695376 87922480 65824012 69161424 65166600 49869912 72424640 43244868 53730000 38829012 70570736 75184304 32656560 51229652 61325808 86345312 46792224 56864548 59641216 51924732 81613872 62802140 57900412 72944888 37764380 44134276 56043288 48826896 52759328 68286752 68832232 54817252 57827732 55320176 59112800 52344392 56788904 48770764 95302328 60772216 61445612 46018528 79197000 67575240 56862988 60301940 56344784 68507032 45143224 70555104 69175056 69695992 65947076 44721044 71770472 37243612 54693388 52437712 63029884 70289056 46814480 40826328 45446280 52875384 75731664 51139192 63298044 69975976 57672600 52200468 61839768 38024208 69658464 71560800 45288128 48301600 59831064 63427168 56273636 54733184 68953952 26095322 35892864 69190632 49809476 56311176 49149128 75600272 61726144 60829696 68729992 73441880 50144072 69854216 59800724 78763056 59247248 47445116 56152792 72800816 56905380 42605592 60130760 34468224 72111872 48929024 57032688 75246528 67601480 53416308 62000616 71659520 70493200 49075232 54708328 55412716 49790628 62073728 78131472 50949320 62616164 108749112 59209752 57814096 64931056 53572324 68138728 36187496 44323608 46500368 38644264 93408368 51477752 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12044014 17937246 16724549 12681505 29581412 12135360 9158348 9905204 12796131 10918832 13331535 18240672 11105111 7973107 14283719 15114213 7579765 19000240 26382880 15627823 8731756 58672876 21011442 14134742 20500554 7782871.5 11319276 11038320 43243236 11995109 14146484 12282840 9869283 14722368 17484416 11622534 16331297 35695532 12854592 17578314 14440677 25992630 18829210 7906849.5 11684982 30340556 13419732 12939789 11252012 16126692 30118722 11305694 41437524 10714087 11168829 7447474 17070452 19668160 51437940 13543870 10824842 9369030 13010402 45706352 9508281 16882800 16452749 10088783 5706341.5 10923635 11622928 17011666 12594940 11206986 14020502 0 14557778 28834274 30421638 15991244 13384746 24360622 19427778 14040152 12844749 11494030 9698555 22686268 15858926 9124939 12603035 23904870 27169846 10284429 7780689 15728722 15103312 24633344 5510217 11594886 15716553 17563852 16888432 17979514 6366627 13383632 28743040 6692802 14800128 10135931 20896862 9730505 27969814 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16153211 8723610 16097831 12323444 11510938 13889943 42269468 28074118 8797654 12654278 11291773 43631268 15432115 23554250 11282695 11034980 26841332 16436783 9048408 23525210 6399795.5 14710501 18170384 15107716 12155448 55517384 10852131 9394955 13231161 13902250 16189792 13629508 13238143 7855703 13658998 10967208 8549991 10940366 17827850 17222270 12439533 7271887 12064802 11395465 16664973 29522228 8682813 17412118 8980471 21216434 13933795 14564205 13731812 32019850 12678216 18167962 6684271 7689765.5 16427572 17504014 19233094 12064802 10311034 16293037 18306198 17000984 18207278 15430645 10569023 17147378 7010149.5 7865686 9172030 16029117 9423910 9061208 10983022 0 9578248 17158654 6354118.5 12127358 13294073 12756715 12460462 12683825 15515881 18904668 9721527 16546721 12031576 13881963 18003360 10435996 0 34918692 11592295 15406893 11581384 19977662 12920835 12705992 9874816 20276284 9852519 20683434 16349067 19750734 15048001 8114820 11965170 13158927 12462509 9474632 18234202 14930753 11429561 24275850 24975686 9927557 29927170 13889320 17145576 9667945 15257640 11458854 11234655 7435484 35692888 26253646 9823750 17850480 37334092 11313830 22446522 7980094 13827840 6141461 12732401 15628952 19999220 16971374 14785744 15552725 19294320 10765222 10934017 15465017 14775314 19512650 25540824 15212643 12594725 31723456 11116052 14149949 7375196 14857022 20356600 13752659 13722239 12504892 10395442 25902172 21417610 15882077 20026376 18489060 10062383 33971168 0 19992220 15644046 10046779 14935226 13376779 13756535 12283857 38592596 16044832 12665907 17617728 7131809 13027014 14459838 11727693 10393185 15332402 8058222 6900906.5 5695970 11695344.25 18330324 20944266 12268719 10342530 43381896 20066368 11723212 11886032 19757584 10236922 0 10724498 12525068 13994846 13934468 14419714 14208666 26896556 10186522 12297793 14620826 17583398 27163362 10203320 9747673 10627636 8324924 8277741.5 21043180 25402162 17032998 9743928 11315528 12238634 12056611 5808585.5 16424581 7719470.5 16035321 12524977 15347782 6865888.5 9597985 8487840 12867712 10157156 10053956 13853958 8889304 11424895 9391690 13190144 11860052 12098590 10126799 32220078 12369449 13331123 9750872 13255108 5998107 8116904 8627881 4303034.5 10797240 9379267 12684811 0 8344398 13321106 15906332 9249543 12027888 0 20636874 12217691 12904053 12909380 44510496 24801712 31041938 26165516 0 17665960 18005044 12203615 10284501 20287516 49117784 13160928 17030074 29793046 9128119 8502017 59771320 23954828 9345337 30517920 8869310 31726502 alpha-CEHC sulfate 122280.2578 203609.4531 45809.9727 188203.8906 202404.75 56781.1992 261975.2656 67405.9453 82746.2813 171374 217069.9844 360116.8438 348972 57092.1914 178271.3281 91721.6641 118676.6328 69198.1797 47931.7109 116136.0703 83749.3984 44222.5156 40344.9336 134961.1094 111699.6797 344932.8438 0 266975.6563 28389.7461 231424.0781 36827.5469 69712.8906 102597.6797 101076.7031 113651.5938 0 87787.6563 0 69134.3672 0 521152.875 0 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327945.2188 264395.2813 96251.3203 0 0 160494.7813 71377.8516 109701.6172 75246.0469 266677.0625 79224.4063 258287.9688 0 0 186887.0469 57489.4648 162815.5625 50169.6445 108143.8281 48779.2656 0 39673.125 82315.8516 35021.1602 151946.4219 849095.4375 147303.9063 574700.625 547781 0 299836.25 38347.1602 121387.0781 168230.8281 187596.1094 166547.2813 0 97106.5547 67294.8594 52285.0391 144062.2969 0 143107.875 420944.9063 273903.1875 159418.7656 0 36470.1914 413662.5938 438954.6563 112318.2734 0 57075.6328 178433.2969 165466.0156 322729.5625 132503.4219 812378.4375 0 38594.1602 286018.5 41159.2656 170449.125 152883.0156 199901.9063 84083.0078 115424.7266 121405.6406 305555.5313 97858.0469 378065.75 0 424016.25 41359.2148 48505.4961 532628 0 339531.9063 54106.0195 156740.875 0 59044.4023 330642.875 82092.3594 46638.8984 337427.9063 47205.9727 102913.25 159005.875 90878.8047 51737.0781 0 122424.9141 103981.2969 87090.3672 50162.918 99139.7188 111448.7656 274969.0938 11027.5781 283895.9375 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72267.3359 278730.1563 188635.9063 60256.5508 526339.0625 63229.8008 462383.5938 195809.5625 100071.1563 320268.2813 248300.0156 84404.4453 52558.4063 152750.5625 48063.793 240782.5781 316042.5938 173456.9844 141442.875 158205.6094 180623.0156 154277.6719 32641.2852 681155.8125 119349.7578 110335.0781 79525.5078 186707.4844 112696.7656 84251.5859 215247.5938 438892.9688 531642.25 0 77120.9219 146491.5 385129.0938 54460.9297 614081.4375 168620.5 41478.5703 139630.5 235625.1719 77620.7188 647898.3125 202792.625 116838.875 135809.5625 27092.2012 254634.4688 51190.1367 49963.9805 32282.9336 0 58185.0313 69346.0078 227253.1406 71300.8906 206620.9063 243656.1406 33473.0469 97824.1328 155919.3438 0 170865.9375 167068.6406 92832 307916.7813 505298.2813 0 877415.5625 92373.1406 180577.9844 30031.1328 60024.6797 58308.2773 132440.5469 120204.0156 12307.0479 202176.0938 91835.7188 216882.9688 137955.6719 242698.0313 466087.1875 299036.75 136424.7031 196560.6094 39104.3633 84224.5313 183691.7656 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488687.9063 1792387.125 7631499.5 1181199.5 938348.875 3534458.25 847365.375 1008403.25 948593.4375 384999.875 2981398.25 2115136.75 1458957.875 637400.125 2194817.75 2189136.5 946114.125 1007130.063 568805.5 1294979.625 1900184.625 9477046 495876.75 456315.4375 858069.6875 778038.4375 158719.0625 2962316.25 4233997.5 871822.625 2663937.75 1192595.875 698654.9375 170301.9844 2220540 212428.5313 821683.8125 491525.9688 6650408 153607.125 1317175 1410222.25 1043891.375 4321082 2367743.75 166048.5 360555.75 1417477.375 2784784 2061670.625 655560.5 1810731.875 1907546.125 3460660.25 1680479.875 1368476.625 1435341.25 714213.0625 1033345.625 499613.7813 1720085.375 860221.3125 3363191 1247333 1582492.625 226240.5781 673073.6875 314617.8125 1268511.375 751283 4179167.5 2867685 208542.5469 9124878 2049253.75 4444555.5 670969.875 1736041.75 1025972.188 567252.4375 348754.875 2529607 4172786.25 2820936 759364.5625 3569369.5 387082.6563 1381451.25 728138.8125 1342868 964021.0625 1753706.75 1909549.875 952935.75 621425 952785.125 127254.4141 1081104.875 5184386.5 1864636.375 1037963.875 962438.1875 1554965 781519.1875 398292.4063 1930480.25 5699560 1220071.25 2686366.25 988539.4375 3206853.25 1667788.75 440479.125 4685115 239984.2656 1047976.25 5159354 299531.1875 1351944.75 3168527.5 913450.5625 299778.9375 2846632.25 168352.9219 483876.9375 292531.2188 624405.125 1325807.75 1705419.75 997908.5 3630775 2046263.75 259579.8594 841667.875 239292.7813 2504143.5 1362379.25 3503159.25 1269943.375 1063955 1890998.5 1341255 457607.9375 903551.5625 1914140.875 1021634.625 1744923.75 177027.8906 2814213.5 799278.25 1038419.313 876396.8125 1339736.5 1487066.75 495414.1719 565512.25 375830.75 309406.1563 425362.875 1006947.375 1013312.75 484041.0625 360035.0313 1318062.25 2332606.5 879929.5625 476402.5625 3061335.75 628893.9375 414014.8125 1563836.125 979639.25 855523.3125 2154898.25 827637.4375 876272.0625 2809214.25 430145.7188 133338.0469 1212135.625 1888633.875 2156688 1363836.5 357096.75 1269999.5 611186.0625 117955.7656 581059.4375 1068195.875 1168865.5 504022.5938 1443382.75 3031331 871525.5625 819532.625 1705602.5 1436184.75 5996056.5 270788.5625 2128390 1029662 485766.8125 1423677.5 1689114.75 5026735.5 1363033.625 7972169.5 326491.4063 194531.7656 582212.625 1275094.375 421296.25 256847.0156 778651.375 417137.9063 612470.25 434267.7188 205953.0156 259492.7656 507291.375 272386.75 228341.7188 1306836.375 1403743.125 3267769.5 757320.375 388340.9375 133888.2344 1102766.5 2206844.5 1073018.75 1226490.25 2518326.5 2534454.25 198663.3438 358357.5938 297607.875 656399 525709.5625 776991.75 571235.5625 1566402.875 1409389.5 92356.6797 2709561 141387.6719 3635874 2269446.5 1243683.125 928508 1446408.25 487890.7188 947384.9375 714376.625 1375600.5 dihomo-linoleate (20:2n6) 30506580 35573148 105038704 14098513 8166157 8176730 11595783 15107736 5407325 24222184 7453773.5 18034412 9506133 25740494 8932064 7999795.5 6842990.5 14251570 24555070 16962608 17477990 24941326 14827025 16857660 16958970 9238442 29850874 6656020 18076534 25195994 11378715 20103020 8331512 18140118 7363671 10458741 21606642 14732019 18283596 13491622 12005106 30812682 11515144 17157182 11994472 7252040 6335759 7131419.5 5060625.5 16261998 18327826 11753618 8841127 7712046.5 10169409 3649893.25 31025550 26252522 6698242 16830162 11285330 15386575 61552428 8803394 12085578 30425204 16199399 21450512 24981560 16017625 6055581.5 10853681 19896028 10356348 7870745.5 27851318 6024544 15352487 6463797 12114607 23100416 13028839 15115954 9868671 24463052 12797622 26089734 8158037 19683986 14343739 12118834 10137112 22429702 19440500 33872972 25552172 10101717 20125586 34168488 55037520 7652450.5 16970984 14725589 35499708 13486876 17949376 3787269.5 14613720 40291360 5460573.5 20161098 15918972 19550692 10164405 20947514 25521624 19964852 40487412 7764273 7339597.5 31568632 73342192 9174767 31317332 13297442 14839423 3484988.5 7769127.5 21610138 25002598 18029884 10036265 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21208438 8345384 20839096 11926834 20977672 35698788 30870876 18072848 7451165 16437066 9922089 27532580 18837066 58787844 25758640 38108032 20409588 14677817 9526579 5753012.5 25691268 16840970 10917694 11451632 14214851 11177931 14574841 8725748 20593120 15758097 11387082 12644688 8207635 7323979.5 39104776 20812820 29237046 24466072 21284222 39594320 31636096 16406471 15902134 7144370.5 37675736 9361873 8315355 5066816 19133630 34205716 9811979 14169054 9129295 49009928 17547900 30334966 18392908 6876383 46680440 28948948 14566074 23848330 10423998 23640712 21015160 11169456 8044449.5 72768616 22649360 11186971 13333674 13483415 21538514 22257368 20016588 12437595 26153714 8186666.5 12754011 15048026 9631964 20274814 8797596 9493624 18706234 17264832 19665524 7821921.5 7770550.5 20083462 7949380.5 19928126 22338770 14298013 25212074 11987006 13658461 40396200 10491648 6319325 13987283 17111478 35836284 14868348 11738475 16114058 17529020 16610348 25889446 13040443 11977945 19375060 9955016 6307111 23220616 11495448 12432211 7523903.5 9080431 6250475 7153833 11193794 10250399 8792692 18087440 11603048 21260468 18454380 19411302 14203737 10528664 32134556 14710831 8748546 18899678 16525157 6885373 52850428 7919525 12343191 6726113 13602261 12524432 9849860 8714829 22211082 21450222 15921571 25090582 30978130 20473166 5134205 10424499 11343447 23144890 16822678 28264500 16386105 19708462 33539168 19476360 12647450 31848016 8202593.5 17874690 5812964 5616480.5 18290054 28301358 17946806 11133768 27830806 13297116 15243051 65584552 6345070.5 25200368 6394118.5 7334381 7670279.5 19889744 23230448 23552204 25735204 10351698 9373595 24700452 11883574 6405285 10657888 19472346 30598900 33574164 19577960 8784318 11038255 16435776 19621064 13103342 23378806 18199624 15317000 27043746 14438805 10745431 49405300 33339338 28821730 43200244 29250434 17151594 34920864 5816918 17289964 11131947 9299655 41290816 11401626 23472352 24552206 81242816 16127263 8436456 19374110 8622890 11714967 11390746 7871210.5 9697926 11055627 16020064 7820572.5 4559586 7461122.25 29388292 26298420 32975282 15331281 43755768 30291054 20241024 16808154 26231188 12675018 3863282.5 5211287.5 6871519.5 16744887 55101200 10596971 13670812 32803228 11702027 16639773 15578675 17341606 41072400 6292206.5 9192723 6888756 5502365.5 9437866 24427810 42626424 22952352 6308709 10423998 18599088 12322287 8419488 24474702 5455457 26877348 7809517.5 22278896 5678064 13134475 13217489 9442981 6484108.5 16609929 34800800 11168040 10195788 15721671 19007246 6249424 11998154 16943214 46769972 7645528 13107577 12314457 16189537 4837012 15535458 9739614 5367725 9288814 8469784 16179042 5973771 8674954 7176481.5 15720761 7663956 10722063 10078723 9275290 16331039 15943360 7504585 15778683 9106214 10552504 25746906 16745364 23024472 20550498 9233763 7926467.5 30938632 9567515 26220586 26307944 43329896 6208910 7971155 12997833 30407782 18223962 42841484 8232746 6527982 dihomo-linolenate (20:3n3 or n6) 38862372 47160608 76058744 20629046 14234721 11717551 17566748 20134282 8449860 16256302 11611945 24808424 11578296 40482992 13441756 9221141 14290633 17192844 21507626 23819018 32416070 33135888 16558034 17506724 28950734 8844749 45880280 10844681 25347036 39363376 17896868 38006196 13893099 27063810 11927575 16336599 24179554 23764204 38286936 19937324 13171370 48084868 13145924 18911886 13622751 7945892 9508892 13933048 9039834 19973790 36219844 28354332 14574328 13266870 15963461 7758687 41840540 30375030 10296142 20781820 25056364 30688356 70124944 16442653 17566466 62031204 23638258 29557894 34755968 19631448 13544573 20428504 28020058 15084975 19787242 37165132 12634291 20191956 10137874 25016924 26230488 16804758 26486784 19819582 32553540 18770694 41092068 16298384 21130060 19813658 13624982 23803884 34823464 17779150 46790164 31691082 10950505 21858544 42403512 72105984 13297567 22897614 17006420 45034728 19971576 20069686 6789254.5 33334280 33165220 11235370 33844408 21641642 22720532 18738296 39134508 35650892 14775448 80119504 9851739 9383239 45706752 72328776 14743239 28615708 13735610 26543050 8027350.5 15760619 33592020 58687672 40446240 15014059 23518388 8847490 24505776 41666140 70081792 34505448 14738184 45621228 47327448 18681550 13158956 32794230 23825740 42572800 26695480 18379554 18599310 53675192 36792792 19806058 17957430 10780087 33058444 52206424 6870729.5 10193387 28423112 40308172 33058116 15343207 7071974.5 43957092 50124824 17290858 20010148 13116457 60094104 12509662 11265195 31177402 13467509 25439734 40094236 26754856 29632042 14028240 19970052 52433484 41155144 32281816 41560740 32991316 16920534 13858188 9417863 9808986 9781194 24013332 10133122 15499990 23917258 21929944 9496945 19010294 42148240 17716858 19889068 14547857 15631080 20932626 19207494 40004460 15877721 22281862 24048434 46347544 17256316 33420782 12856570 28682704 19387262 25880868 22863822 22176834 41451608 13467030 11516566 23761362 34193012 9373211 49513228 10513130 7764814.5 18181096 22380976 19641698 18512630 23624658 43666724 25760282 40672508 63260204 16930178 32243694 31771642 41836132 22556956 25684714 30831840 53862784 13128366 37962796 11858253 34279336 17956394 48247180 67511272 44721936 23731318 15945755 33618168 13129667 34894428 24906526 87518856 41623268 47984312 33013156 22533076 23597662 13065034 50913596 26115156 16279048 22473070 21449848 20027814 15172695 19746202 27407582 18201530 20536290 24264522 16375587 14675299 49608240 43255128 45150648 41358764 23804678 41865124 40354612 23841802 34219940 11373341 50267888 16950756 15154495 17168754 25849220 48108984 19986684 18614462 19589820 70485904 18400750 49081528 13262557 15710177 58232160 54284628 19918640 27308378 19928708 42834172 30904344 17346202 16543397 114599752 18977530 15956869 25559848 18849396 46091744 23388558 21782540 17358280 30277188 12587742 14850201 17022702 14447469 25480850 14625752 16966110 16319406 31969860 24488916 10079211 9447150 27492162 14306608 25264194 37320996 12043428 32968308 15048504 17094828 42127540 15906249 11605999 16520115 27002626 45905640 21049056 12664834 22431588 24157754 21055206 35964916 16306477 12926441 19733222 16342944 12081951 31512426 17739934 14266299 12231034 13867412 6289736.5 10118802 20484284 11330545 11326005 17290632 11856903 20665328 22744202 26965184 14360000 16744790 40061356 19550874 14484053 27397088 14475624 8592992 56697508 11996932 15013458 11309648 18599206 26027550 13733138 18361498 24153054 24812318 22262146 40654256 43831268 25273048 7344068.5 14545970 11501450 34563932 17749994 39673184 27039702 17210376 37549352 20614316 16424516 19110590 15630058 23821928 7626675.5 10986005 26900308 38274952 21144496 20161290 49283280 18091608 25285394 83124080 12808591 41791840 11883012 13500716 11250780 24797986 39127308 24852658 31952384 12773942 12530087 30855378 11074669 11396257 16269504 26446516 40225344 45552060 50652000 15432255 15203794 16989132 25143672 16099608 33592748 20466598 20687542 37370608 22700976 11957543 57381712 38570052 35355336 46565456 39570200 26259434 40676508 12281169 23067680 24447186 12897746 57468520 16994654 23944026 26731574 80780008 15063889 11467431 33266068 15928699 16700397 17485966 12881666 15137726 15021549 21661824 10823274 7917323 14100090 37320116 28676662 31811318 18192024 49758800 27863346 21415042 18540644 29231340 13480736 9105466 6200185 18432304 17087006 44592920 18289494 20561032 48504668 13809248 30328764 28091354 23319770 41605660 8711897 15171103 15975380 7774973.5 18198884 34466932 50582360 37345392 8787870 16852788 19465592 21845186 7224775.5 31898100 7271091 18501222 8696594 22382284 9443181 12356461 17435950 9113836 14558603 19864288 42912140 13207836 12758299 18500940 18992156 8186089.5 13480064 22243560 68854096 13482512 24901268 21418274 24578404 8435582 19540454 16490335 6903677 12252702 10088830 24613954 8474326 21188798 12058394 25402108 14806292 14757326 18189402 12344368 23064470 17236314 11661537 22122422 14155263 15536580 40859588 14709404 33161574 34096528 12511372 8975195 29397932 10364307 33754208 26137654 40286020 9552342 13603148 16106176 46501636 23879430 44860816 10428618 10287286 docosadienoate (22:2n6) 1783096.875 2567342.25 5849225.5 1371019.875 516090.3438 492426.875 836669.5625 1105911.5 374420.75 1443106.125 555144.9375 866235.1875 694465.625 2231102.75 778239.1875 522301.875 525385.125 1206791.75 1434950.375 1219856.625 1375745 1440208.875 1270932.625 1597213.125 1047002.625 479537.25 1599469.25 404985.5313 1305902.875 2169115.75 631158.375 1303099.125 491345.5938 1528425.875 444518.8125 867977.25 1660697.125 1646366.5 1720578.125 776986.125 641801.9375 2638147.75 859265.5 981425.875 885230.4375 410355 375031.875 416801.3125 428601.4688 922358.75 1692023.5 825423.8125 698819.1875 448112 908238.3125 266226.9063 1707550.75 2162096.75 396440.5 1654089.75 672041.1875 1343931.625 5535662 621637.5 718099.375 2986831.5 1909812.125 1426047.125 2445453.25 856733.5 440064 850539.4375 1335323.375 899551.25 455204.2188 2913192.75 318493.0625 1392877.375 508686.2188 1215400.375 1255667.25 959210 1124926.125 771739.3125 1761562.5 1370856.875 1499132.75 606250.4375 1205049.875 1331882.5 677750.5625 657711.6875 1220586.875 1348583.75 2229717.75 1675591 604686.6875 2131381 3392976.75 5863305.5 466206.3438 1424150.375 818773.6875 2243346.25 1463113.375 1282472.125 235103.3906 1124365 2756763.5 233090.0313 1461231.625 1131921.875 1587337.375 886654.5625 1528119.5 2140271 1117574.875 3818735 285503.5 468060.0938 3897130.25 5314210.5 550648.25 2610558.25 636642.875 973692.625 274799.875 547422.25 1746582.5 1795760.75 1857470.375 666759.5782 1325030 309941.5313 1212146.25 2936922.5 4363867.5 1983740.625 568665 3271170.25 2401805 1436908.25 456043.5625 1339124.5 1205692.5 1599703.5 1169821.875 1928290.875 637185.5 2831297 2434731.25 1202676.5 843443.3125 449372.625 1701637 1855353.625 521051.1875 659656.375 1844805.25 2765504.5 1258771.25 1140235 295035.75 1932355.25 2063837.875 563979.5 644513.5 661131.875 3665590.75 328520.5313 454523.625 1596467.625 386882.9375 941561.9375 2753700 3297138 533289.0625 623495.4375 1567625.125 2798491.75 2779196.5 2122487.25 1224722.125 1706294.25 638246.9375 358754.1875 373372.7188 372279.6875 412981.4688 1156263.375 418691.3438 291262.7813 829593.4375 1029823.5 472537.6875 928710.1875 2193782.25 801269.5 554264.3125 442347.0313 1076864 820798.3125 759622.9375 2905048.75 575531.6875 2931010.25 854479.125 1981518.125 960301.3125 1994011 920760.75 1122504.375 556404.9375 1128922.125 1317244.5 1426602.75 1690994.75 831617.875 281290.4063 1044584.625 2742980 578105.125 3966055 291032.5313 469317.375 1366183.75 903157.0625 1587801.75 1255767.25 637953 1870201.75 1812723.875 2767904.75 3116181 844614 1627965 1552953.625 3274864.5 1548227.375 1329266.875 1416670.25 2842630.25 368388.0313 1353147.5 477452.5313 882123.8125 497700.0313 1694376 3697117.25 1867395.375 1045593.813 618974.625 813123.4375 604305.8125 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827057.4375 1668952.5 926948.875 789926.9375 1274948.5 1570309.25 1051563.875 1558659.75 721055.5 862157.625 1716614.5 483140.1875 404394.7188 1062636.75 648624.125 1184401.625 424399.6875 665460.6875 366165.0938 516151.4063 776072.4375 806547.3125 770701.8125 642548.1875 1228057.5 860341.75 2253426.25 1183239.5 1249402.75 657504.3125 1620614.125 735572.0625 625981.375 1445646.375 862231 623914.3125 3884166.5 436987.5 1128029.5 498388.5 934844.6875 968251.6875 499706.625 696351.25 1581527.5 1838221.125 1295997.75 2651471.25 2577053.5 1058274.75 391151.7188 824195.8125 736801 2241553 1817049.625 2656281.75 1106944 1257569.125 2257094.5 1178579.875 792729.75 1379030.75 761062.75 1056585.375 347750.5313 280302.8125 1511561.625 2902386.25 1716272.75 672439.6875 2697427.75 1478385.625 933345.8125 3633103.5 461524.25 2050302.25 443136.5938 402586.75 361867.2188 1402524.75 2143189.75 1955840.25 2844670.25 655365.0625 565636 2340322.75 838096.1875 401456.1563 652410.625 1488685.5 2276647.5 3513925 884795.75 847899.0625 534537.125 1514696.125 1200187.25 677781.1875 2062845.25 1236965.375 870451.375 2651858 1372412.875 824815.5 4507636.5 1511452.75 1320619.75 2635750.25 3225907.25 1246418.875 4201388 308226.5313 960187.625 1256541.875 719659.3125 2353196.75 1081000.5 1269098 1610640 6345392 1268490.25 449259.9688 1972018.5 424157 1033672.75 870635.0625 524530.0625 483045.4375 994178.8125 918095.6875 661295.5625 376233.625 648613.0782 2587135.75 2090494.125 3125895.25 1122134.25 3886868.75 2514235.75 1966199.875 1448653.125 2214624.5 924368.125 164783.8125 358091.0313 464799.5625 1103441.375 4542613 583852.9375 1175060.5 2522189.75 851446.6875 1502985.75 1202684.125 749490.125 2318245.75 428668.5625 675394.4375 572293.125 460288.75 869398.5625 1892468.875 3073954.75 2030775.125 261779.3594 931737.75 1328842.625 842028.1875 934996.3125 1663601 270766.0313 2189125 555179.75 1833235.25 367673.7813 660060.5 1029813.25 746101.625 656550.625 786322.75 2665033 693859 675515.9375 712974.25 879155.3125 457614.4375 890316.9375 1263384.25 3544421.75 653405.8125 1020091.25 1087831.75 1481740.5 514953.6875 1385831.25 631392.5 403465.2813 491975.4375 777070.125 2029474.5 340815.3438 832420.625 449496.8438 1372179 642943.5625 539644.875 632962.4375 589797.9375 1056712.125 979452.3125 467475.8438 1177961.875 605435.1875 1121546 2147986.25 980086.1875 2309066.5 1970411.5 631007.125 521721.8438 1302288.375 844340.1875 2391595 1829708.25 1971526.25 302456.75 686610.4375 1039829.75 2715270.75 1828536.5 3794282.5 663704.625 432073.0938 docosadioate (C22-DC) 246836.0938 186323.0469 117266.375 268591.75 382821.875 364725.0625 161807.5938 106399.6563 109272.8438 281924.3438 613850.3125 344276.2188 408154.6563 106377.4453 157232.7813 354798.75 217882.7031 97533.0703 98771.3125 206195.5781 96821.2109 68130.9141 120312.8516 51540.9258 122275.6797 212397.875 271439.9688 378786.8438 81454.7734 421431.4688 75529.5469 0 93516.3281 84943.625 203063.2031 191039.7344 115631.6328 112889.3125 60645.1836 197053 503734.5313 0 147452.8438 263614.2188 221142.875 120592.7813 487466.5 410084.6563 136422.1406 433873.125 84168.3281 215418.9844 341112.9375 267013.875 63262.1445 156871.0469 275474.8438 78739.4063 98418.4609 103888.7891 154486.5938 93250 117370.6172 228750.6563 198214.8125 0 0 74399.5078 154346.6406 108667.2891 161058.7813 342493.7188 348109.8125 142928.125 223177.2344 136634.5 179891.8438 140587.2344 299945.5938 78828.4141 463603.5313 0 180827.0938 85729.5469 164129.3281 151446.0313 0 80022.3125 81860.4688 356305.1875 507417.8125 131369.0469 320710 305250.7813 0 153131.1875 354923.6563 107086.3438 90888.3047 0 157336.4063 122396.0391 304459.75 111042.5391 93737.5078 268055.5 307836.6563 61728.1016 189183.4219 360081.25 170385.2031 213729.6094 565700.375 151455.9219 0 155217.4688 258905.4219 0 432425.625 299944.0625 97746.7969 111436.2813 382036.3125 102101.9219 749461.5 68368.9063 149539.8594 170131.4375 129507.6953 48977.3242 90481.0313 654664.4688 140869.4688 213808.7031 97915.5391 239658.2188 136004.2031 68432.9609 403911.7813 89014.4219 159048.7813 194162.875 416184.9375 331917.8438 47832.7891 0 94227 156604.9219 257493.1406 251918.9063 104138.8438 84676.75 86734.9766 484060.4063 123630.5547 93932.6641 173626.5781 254570.2344 147071.0625 81922.1484 133826.5469 49246.7305 252848.9844 74992.2422 108687.875 121337.0234 163386.3594 636146 102011.1016 391379.0625 466981.5 134431.875 680471.125 162031.5313 95325.0313 445253.7813 155805.375 214681.7344 98940.1406 100228.0938 97781.9219 119498.8906 108682.8516 78814.8203 417427.8125 363116.625 613431.5 292535.9688 101496.1172 137620.6563 302477 282103.75 233034.2813 92651.1797 131576.5625 701756.5 892548.1875 606795.1875 93219.1563 192287 179865.1719 115520.5938 465727.75 87631.5781 391678.5 0 88789.1328 76487.3203 105744.4766 234665.25 296754.1563 160147.3594 370782.8125 0 318091.0313 79384.5156 73460.8672 817131 143494.7188 426553.5625 136360.6719 271321 0 191919.375 601135.9375 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82779.3125 108299.0391 126979.2188 186187.0156 347311.6875 402045.9063 270578.1563 269456.6563 240380.875 397756.9688 0 87831.0625 219192.1875 244026.9531 101089.6953 87146.4922 254056.125 147094.3125 181914.375 84185.3359 340945.8438 108112.7188 344536.5625 295845.375 135999.3438 71386.625 87653.9453 144394.8438 290594.25 0 376775.625 99080.625 302901.8438 158855.6406 0 110711.3906 57128.7383 193316.2344 233478.1563 133675.7188 0 329445 92550.9219 111454.1406 196991.9063 0 106631.5078 189278.1094 0 406717.4375 176427.7344 112359.0781 0 87670.4141 104317.5313 447596.5938 251433.25 102612.5938 565307.8125 98067.9375 758536 115855.3984 173101.7031 96349.5469 127178.2188 168979.2656 92558.1406 364857.5313 355437.8438 357388.375 668312.3125 653626.375 138586.6719 616103.125 304332.6563 132849.1094 169232.6016 107443.8203 0 253950.7969 438999.6875 139689.0938 155934.0938 138306.7969 72943.6563 0 159599.0938 175186.2656 413786.0625 392831.6563 66450.4375 120681.7031 473131.375 71055.4688 0 409937.75 66450.5625 151895.2813 389131 155185.5938 132347.25 538210.875 258292.9375 422289.5313 181654.0625 150071.9844 0 0 253388.3281 74388.3828 215336.7188 113406.3203 551108.125 156435.6563 252969.9375 130017.2656 402580.5313 86308.8984 469126.5938 336330.3125 77841.0859 360271.2188 93971.2031 232636.4531 154022.1875 343993.8125 454588 291199.6875 556676.6875 263222.2813 440015.1875 115586.2578 402368.1875 47121.9883 53961.6953 516255.1875 164737.3281 91390.1094 227668.5313 115779.5391 233249.0469 722491.625 185873.5625 148395.9844 579214.25 279929.25 138656.4844 91554.5391 245165.0938 171389.5625 207454.4219 160886.875 100799.7656 598041.125 162099.5469 83524.2656 156185.2031 177590.7969 89139.6094 219358.9531 231743.9531 78783.7734 324447.0938 604736 460682.375 75982.2578 183994.75 0 69009.8125 395604.4688 190169.0469 181455.9375 183350.9219 93857.1641 106977.7813 178471.8125 339828.25 docosahexaenoate (DHA; 22:6n3) 63701476 110489728 280170624 48537128 60723668 31894742 41555672 44190148 24537650 47279144 35272768 67545016 39958384 54100840 37878472 26097036 29242982 59502440 71823000 63912588 65200964 82086080 41377552 49018304 54282472 29071112 115482328 43298984 54105376 121235240 45440860 52312108 39111696 49685964 39043204 37733508 64804392 81702856 87805704 34256232 50679216 118270944 44853560 61224840 47106280 33327818 24835182 24470790 20704422 72998192 89268120 11750617 44504908 32293162 50000356 17159792 155760000 47101420 29252134 50310804 54599468 84133864 214251296 36193680 58561968 248254544 53620356 134985456 99703160 45447288 18310686 27877210 91929192 41376308 37754472 97381584 54514804 54133324 20452888 48797988 62589700 51609224 72083384 57869288 124620776 36925524 139670096 32966216 54595192 53629568 50444572 38711356 71105680 50906220 101792704 93606520 22473498 80360288 146629792 180247840 41036212 55116192 68197800 107947864 63588096 73376592 19968814 84111440 147462864 20679614 83571664 32864488 79207088 50923532 54628400 91081216 51955720 239256480 32838888 24072618 90907104 237162288 48991904 58310248 50533444 45268560 11840572 32921574 63976760 97707560 47803604 34085004 62039968 27584440 71978008 121276008 159044240 103456776 41966944 204204784 134193232 63123364 31605588 77660664 41274792 94673088 41680760 95130888 27260482 109917568 74207664 150670320 36774608 26312600 92712328 114349088 36120144 22618938 74746992 86597544 98283632 41091912 16200221 125354728 80718184 28954074 40910748 41913656 87794448 33543694 25879784 53987680 40115140 56588516 94180696 120028640 49675912 27292014 44135940 87214264 97851632 97454848 101235992 105527640 42629508 38880960 23924596 22628318 18603588 52976572 36596408 37015292 48823176 91351680 27621392 61025028 126840832 62401004 48373336 52433352 34111388 37835340 60594632 87836264 35262980 104125912 57468036 81405448 53807440 62175420 40695280 70974984 53618376 53658404 67151392 42977304 61739528 47701376 36099824 47952548 101423272 27187852 123621272 9292584 26812550 57452700 41243852 44195996 69094168 58033324 134206960 61001908 76815760 161483344 39831760 81478272 69316544 104874160 77922224 75666904 83335968 94187512 46653664 145359520 29690996 153740432 51927448 109168920 92306800 115188888 84625112 25668340 75692048 38048476 93727256 48523556 122433264 100107944 125726280 81345440 74007184 51236540 25274494 94972392 47722792 55311416 73575648 50404864 75175104 56989464 59304428 85924608 67029252 78123840 50337676 32501630 11911998 109712688 109006240 111929144 109326200 10867165 74428064 93031456 77988928 67823904 24652362 221644144 59947356 55896480 40916224 110314848 152143472 60511840 51494720 43449140 106867792 57494944 182380272 46176588 35407780 221324848 85602792 43906140 71318824 58529584 83691624 62727784 40987196 29984762 290321056 46302772 47082628 40894740 49746176 103988392 70468504 105787792 40600328 79974560 44683908 45199152 33912764 44442284 133893136 41270008 31406248 87511392 67449672 74537304 32847706 33192886 85361856 34747664 59171556 122564784 18770008 69679912 55992972 64317644 74462240 52830780 19510332 52437864 84729920 199218528 57313988 37629024 56469576 46004848 33926596 62306012 41978324 62210236 75888224 38737732 27426874 76325168 61033776 29685012 8163368.5 32448952 16186274 27100010 47595888 33841852 24526172 60877668 52244664 62561600 43286444 82145312 47077752 29655888 214313760 61356520 31359606 50282172 45282208 25373362 120013368 33146186 34704856 41705124 41329316 51055704 47120904 35027832 65994224 75264568 65157404 148293968 114584744 62536144 21675936 38332576 36915432 43237660 75195992 57860968 49420560 58713108 135567408 27812896 51287124 103220936 54157216 63687864 21218008 21596786 72284104 84758256 64854896 63625076 75478696 54297120 75375664 196674208 28863944 73989720 13599949 17279684 37402744 69019928 89901504 66050416 118008904 31311190 39819488 81332192 34645192 35512008 53591768 75780840 69306536 153635376 90631480 44879028 49444424 50526704 45897072 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35092896 41750592 59282264 66707008 29451532 47930844 34853516 61642048 79691712 44000296 142357072 110587912 40235300 34905624 96939528 22337758 96411272 79817272 143695872 20533544 41536344 54973584 73724024 65381160 113085352 31281082 37231928 docosapentaenoate (n3 DPA; 22:5n3) 11405663 22281012 81466728 7095817 5534941.5 4158847 5844174 5915862.5 3893038.75 2775084 3158791.5 6101541.5 5132837.5 12798260 6981805 3326741 3918952.75 8766633 11918206 8663705 10304001 16209765 6686474.5 6086205 16205057 2199059.75 26654106 3180114.5 9269609 21874596 8811714 11909875 5405554.5 11323271 3770709 3629770.25 11210646 12735899 15394734 5258867 3533222.5 19100876 4856518.5 3998758.75 7085441 2144846.75 2170427 3075952 2463355.5 5057660.5 15740465 3429892.25 3192451 3164735.75 10081980 4973674.5 13442535 14189280 4852857.5 7826375 10834160 12226888 50255880 6525739.5 5034878.5 38526652 8425476 19276450 15728956 8574827 4332208.5 3384474 10993122 5687820.5 4645720 19861636 7614351 7462966 2039611.625 10797955 9004104 8082010 10480287 7362835.5 16453848 5624044 23226736 3932646.75 9142277 6260777 6311313.5 5068999.5 16244721 5347670 15483088 12200975 2535319.75 16865546 25060282 34796344 3321378 11054390 8629135 27716608 9523763 11798146 1891681.625 13481117 24712186 2761738 14283821 3676377.5 4979487.5 8211351 13234631 17170944 8039046 36080988 2947921.25 2406499.75 15055410 49715304 6577161 11917846 4176682.5 10351621 2040146.875 2949275.75 11634089 19543988 7574724 4071310.125 16248754 3137079 8023385.5 20447140 34273620 16489192 4065070.25 52061380 21010466 9279104 3853155.25 9699741 7219094.5 17831752 6314227.5 12523007 4303914 16394543 15707693 20501646 4890477 2575901 10936778 20994088 1543911.75 2548209 10385129 13415876 10333205 8106091.5 2575791.25 19744644 15252455 3912021.5 7511586.5 4339689.5 20922254 3537579.75 2482311.25 8811942 3566696 9885492 13862460 5662792 6049116.5 4376040 6796975.5 18466186 16533328 15888760 18921074 21285636 5295040 3358338.25 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3463717.5 28786106 3987686.75 27179816 4550528 4334082 32871110 14533958 5575513 7128671 11515560 13323705 12933934 4499043 3293365.25 53638940 6555018.5 3613366.75 7023521.5 9040621 16502065 8155992.5 10699727 4228077 13815120 3499581.75 4331043 4794308.5 4266346.5 17427234 7066009 4467990 6535947.5 11007710 8820993 1682581.875 2116598.5 5368790 5925155 12552225 21267018 4261157.5 11729792 3856262.25 7155553 13674477 2517234.25 2058249.875 4919209 14390285 30791556 5805924.5 4033276.5 10128012 8506993 3170983.5 14270926 3753313.25 4683147.5 7674241 3952784.75 2491275.5 10179920 6948027 6405295 1622153.375 4180147.75 1506290.875 4094807 5960026.5 3353698 3883461.5 6632058.5 2526201.75 5028080 7218981 12592328 6490822.5 3816491.5 38395396 6548865.5 1972776.75 8289032.5 4385551.5 3319544.5 22613822 2565925.5 3767425.5 4083840.75 4470990 7823908.5 4076689.5 6023282 9023557 11337636 16880904 26719946 21126364 6532530 2858485 3991741.75 3114687.25 11090181 11080098 13731183 11641949 6865758 29938184 5163423.5 3769697.5 7637586 5810702.5 4888406 1936248.375 1994509.125 9020776 19617296 8081235.5 5493555.5 24021584 7707841 6272343 37131420 2320464.25 16608996 1450758.125 2414586 2310656.75 6479896 19306536 9891208 18131402 3857435.75 3714403.25 17634396 3136348 5338279 5397986 13062603 15624402 19668868 13276588 4661326 4182910.25 6538176 9169995 3693147.25 11717346 6085487.5 5684411 15957106 8083026.5 3243666.75 22977652 14390124 9624028 22353830 18782768 8636105 21240728 2401597.5 8122391 5540145.5 3357577 25585514 5179152.5 15742126 18273734 44374148 5088604 2875715 10570335 2269958.25 4414011 4037456.25 3846292.25 4020338.25 4854671.5 6498052 2260667 2432490 4191527.875 18484426 12307446 11871219 6103749 21947438 12392624 7070276 6113753.5 13161993 4049637.25 1567975 1879030.375 3260129.75 7788312.5 19153696 4699533 5681979.5 19302942 3074644.5 12335214 14204306 3802782 18440334 2682560 4324584 6894337 2584107.25 5086451.5 18886904 49515020 14307168 1653696.75 5792826.5 8443332 7254502 2701724.5 8784111 1290876.25 8577244 2388338.5 9790396 2174575.25 6422997 6163040 2280504 6095414 7536785 18091370 5120236 5239429.5 8580673 6709172.5 1917325.5 4939687 15248468 40178952 4405250 6694996 5710060.5 9624062 2960109.75 6248662.5 4431358 1639604 4531246.5 1988278.625 12119517 2131269.75 4375683 2315642.25 8903697 3497438 5755173 2683735.75 3162656.25 11554976 5187067 6057927 7170873 4463102 5941728.5 14798308 5496993 14410393 17712382 4576515.5 4105539.25 16438043 4010338.5 15051692 19131516 34198560 1680272.375 4661598.5 6950206.5 17770530 14191477 15188449 3523370.75 2885475.75 docosapentaenoate (n6 DPA; 22:5n6) 12073027 5686233 0 3566879.25 3422309.75 2488751.75 3574381.25 4788502.5 1529499 2542428.25 3273395.75 6026908 2638735.75 7394013 2146348.25 2535107.5 2903258 2201170.25 4432686.5 4518132.5 7374125 10352642 4051756.75 3331121 0 3041681 0 3468315.25 4539003 6887818.5 2928118.5 8495287 2811594 4571542 2872490.75 4359833.5 4531696.5 5551265 6487956.5 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60189424 5589970 21916138 37365896 17852624 24442086 23382140 9280878 62915308 7439584.5 8629795 10532193 3158908 22153346 54256540 26647124 35097500 11565639 18171582 24319308 10250280 14082072 50894192 2301780.75 33962380 9593627 48093432 3028749 25596334 14461033 17831344 6077230 16462386 43192360 18849976 11955364 20264102 55667188 15690351 28383438 21645392 45006872 11114514 28375420 13930221 15439222 2992797.25 29357132 27361452 4375583 5356469 3615506.25 21698866 2699190.75 5037635 5987557.5 12008192 6641644 16413608 6812636.5 6323131.5 12107458 38556596 6419063.5 12429233 21661166 14134858 25142542 28582660 26556748 33416458 4242027 11075257 23425408 17110210 24866184 44346180 57939872 3813254.25 5102474.5 14070324 46721076 17797964 37343676 11433746 6102972.5 N-acetyl-2-aminooctanoate 476037.0313 731536 547929.5 461146.0313 616341.375 1064517.375 577119.75 525577.125 344897.125 324006.0625 898983.4375 608744.6875 1626244.125 309242.6875 749654.75 666609.875 661689 525902 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340007.5313 404660.7188 588313.3125 421730.5 931488.625 883670.1875 506246.5313 491802.9375 908115.1875 995935.3125 443630.2813 1181863.25 690322.0625 488223.125 554080.625 1120708.125 311211.6563 642306.125 538288 310815.3125 673126.5 558986.5625 229143.3594 646803.0625 407391.3907 434338.2188 707621.8125 329233.75 1029410.75 464156.9688 276655.5 560180.125 279655.2188 809943.0625 572117.4375 1000387.5 492172.3438 408481.6563 584314.375 446177.4375 892176.125 632907.5625 1010989 444355.2188 746283.0625 316631.4375 604278.125 347691.1875 427446.875 707641.875 459624.375 433463.2813 364869.0313 508912.125 380868.2188 504387.875 454816.75 328136.4063 592698.1875 521601.7813 864302.625 787469.3125 633728.25 1122756.25 581366.9375 815666.75 456979.125 460250.625 792152.9375 642813.25 621586.5625 503648.9375 232057.8281 623993.9375 484097.4375 644457.625 309468.5 705086.125 1615850.375 976653.8125 1208736.875 268911.8438 290882.1875 952661.8125 498078.1875 372564.2813 541902.6875 1168714.5 518353.5 707713 700724 502103.1875 782600.0625 523397.8438 561244.75 1027418.438 330926.5625 497923.0938 698407.5 354922.875 648023.6875 431018.3125 462813 1324774 567940.4375 1278377.5 741730.875 445323.5313 317813.1563 275910.0313 1106829.875 321478.375 587751.9375 617280.625 802757.375 369283.9688 504871.7813 272593.375 660402.25 621709.9375 681046.125 256552.0156 901760.0625 488683.0625 456985.9063 269311.3125 272465.0313 330788.9688 624493.8125 429979.9063 369983.4063 735059.625 334563.4063 497688.5313 602286.125 553099 740435 336431.9375 425074.5313 703159.5 409618.5625 624973.8125 475228.3125 535271.75 303112.5625 1339484.25 832272.6875 298633.3125 483106.4375 402942.7813 910010.75 530097.9375 940812.625 801786.625 736713.1875 1066582.75 213889.7813 810604.125 878256.875 425853.625 537806.875 706712 326624.125 455579.0938 783010.3125 1279365.75 763665.9375 627635.125 409064.9063 1234985.5 631224.375 354275.0938 659432.3125 446818.0313 686806 333168.4688 495666.0313 1221901.625 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2493803.5 2728916 3084092 2857307 2985731.25 2491602.5 2713500.75 3426287.5 3094134.5 2520283.5 2305923 2913158.25 2724400 2413789.5 2597864.25 2586539.75 2668991 2461136.75 3516924.75 3066278.25 3095943 2641899 2398314.5 2749162.75 2843506.75 2554327.5 3757765 3065596 2194131.75 3128196.25 1989346 3302835 3122893 3074361.5 2866966.5 2131313.25 2378272.75 2481065 2378516.75 3473934.5 3441402.75 2500171 2342760.5 3192539.75 3460737.5 2960140.75 3222433.25 2064796.5 2995099.25 2795422 2837326.25 3111946.5 2474519.5 3020815.25 2493451.5 2634326.75 2322021.25 1649835.125 3074250.25 3105363.25 2742238.75 2502145.75 2663921 2442309.25 2955042 2856160.75 1376475.75 2199811.75 3641702.75 3154803 3241436 2907005.75 3032447.5 2550002.75 2520380.25 2553662.5 2007872.75 2239167.25 3706124.25 3067392.25 2774704.75 2810359 2402616.75 2552946.75 3871051.5 2498846.5 3003271.5 3028641 2977451.25 2951393.75 2335327.75 2213735.25 1845991.125 2566024.25 2295508.25 2317708.75 3091572 2801723 3165345 2030950.5 2178850.25 2563650 2879405.5 2660929.5 3157250.5 2305258 2510838 2741088.75 2400360.5 2693207.75 3083049.5 2765075.5 2012609.5 2712196.75 2911310 3199326.5 2738291.5 2893736.5 2084837.125 2347387 2550984.5 2338771.5 2158002.75 2491798.25 2439098.75 2346206.75 2670113.75 1937563 2390705.25 2941600.25 3087139.75 3036663.5 2908922.25 2643176.25 2296584 2999771 2599567.75 2627009.75 2558753.5 2485607.25 3674144 2629045 2752254.5 2967496 2936362 2801375.25 2991270.25 4280467 2646848.25 2962159.5 2305923 2969573.25 3396498.75 2545597.75 2541826.25 1825225 3042413.5 2314153.5 2859241 2228914.5 3098945 2949335 2868213 4164240.75 2588894.5 3817768.75 3031687.75 3272545.25 1681989.25 2424526 2974421.75 3128996.25 2598893.75 2117879.25 2966780 2502747 2732941.75 2629325.5 2264685.75 2510494.75 2890827.5 3783560.75 3177356.25 1952751.375 3343481.75 2548771.75 3643152.75 3034285 3185499.75 3368190 2600910 3570577.5 2370207.75 3105537.75 2222845.25 2944052 3789536 2541760 3506844.75 3238268 3315310 2938244.5 2544190.5 2195340 3059607.75 3068139.75 3619889.25 3452689.25 3005508.75 3170241.5 2774561 3209766.5 2981573.75 3362173.5 3985572.25 2794457.75 2651543.75 3871102.5 2899439 3150259.5 2490955.25 2721178.75 2866335.75 3826282 3046248.5 2783718.25 2023981.125 3015588.75 3096002.5 3034968.75 3254470.25 3011064.75 2944243.25 2388895.5 2738680.5 3220044.5 2807766 3197500.25 2685499.5 3727292 1348513 2526895.75 2599792.5 2282746 3356501.5 2259847 2157792.75 2050478.25 2758116.75 3635680 2513547.25 2872829.75 3110412.25 3298511.75 3876509 2958692.5 2228232.25 2415184.25 3077774.25 2608616.75 3070209.25 3224134.5 3006244.75 2928170 2770623.75 2703666 1400812.5 2103101.75 3633454 2133896.75 2661078.5 2976205 2740181.5 2709978.5 2290410 3149244.5 2614844.75 1913503.5 3674484.75 1997618.625 2655928.75 2705948 1638988.625 3486500.75 3592501.25 3053732.75 2846824.25 2305113 1996097 3142909.75 2234060.25 3378827.5 3222785 2868776.25 2218159.75 3316308 3349615.75 3061576.75 2381273.25 2029432.5 2802869.5 2618244 2938605.5 4211913.5 2512819.5 2716514.25 3345221.75 2807302 2518044 2908365.25 2526706.5 4448047 1494282.25 2816924.25 3218547.5 2733196 2611340.75 2896647.75 3194302.25 2439782 3640321.75 3956833 2709565 3062428 1933795.625 2679684.5 2360279 3128961.75 2708309 3031768.5 2606181 2297692.5 2392436.75 2001306.5 2265711.75 2413892.25 2257557.75 3750565 3073023.5 3098972.25 2668558.25 3405986 2561815.75 2011657.5 2983219 2867439 2634308.25 3483043 3193755 3227624.75 2659315.75 2687280.5 2782859.25 2039544.875 2721867.25 2652101.75 2478601.25 4254186.5 2982727 2824060 3059094 3285136 3583810.75 2749331 2859623.5 3722073.75 2755102.75 3544119.5 3198366.25 2603459.25 3518026.25 2662204 3122219.75 3055438.25 2047906.25 3250150.75 2310216.25 2612657.75 2981999.5 2735735 3119447.875 2345575.75 3294756.25 3243277.25 2423314.25 2703087.75 3008455.25 3591922.25 2496405.25 3281233 2036826.75 2739350.25 2906292.25 2945176 3530455.25 3170984.25 2685580.5 2312081 3035678 2010886.5 2187884 2649942.75 3032625.25 3258163 1602525.5 2581950.25 1836687.375 3303547.25 3098683 2309731.5 2561693.5 3050612 2306733 3348112.5 3073657.25 2654571.25 2184934 3239412.25 2257593.5 2876987.25 2278081.5 2988496.5 3024052.75 2239799 3205430.75 2093750.25 2374580.25 2598907.5 2674246 2404500.75 1987484 2580493.75 1774260.875 2289728.25 2806016.5 2910688.75 2791573 2862851.75 2737385 3580935.25 2774116 2903951 3226879.25 2701116.75 2002819.625 3217007.75 2213208.25 3210956.75 2814251.25 3731998.75 2295964.75 2856605.75 2868701 3056383.5 2874623 2942687.5 3055791 2379327.5 2335602 3407408 2757518 2483286.75 2799541.25 2988578.25 3639701.25 3331204.25 3075901.25 3454065.5 4021460.5 1569162.25 4290201.5 2424096.5 3411897.5 3114456 3044941 3170232.5 2811670.75 2632972 2413606.25 2252784 2819577.5 N-acetyltryptophan 211461.4844 162952.9688 98245.7734 205352.6719 181401.1719 122944.2266 122018.4453 132953.5781 103670.4688 71861.3906 168033.5469 150551.4063 143526.2969 165363.8906 182764.8125 112953.8594 178800.2031 240286.6094 79582.9219 172157.2344 108641.875 191115.625 194608.5313 143175.9688 168814.5313 69264.6172 111150.2813 133073.9688 87469.7422 240012.7188 80777.2031 179389.7969 225011 157706.4063 120150.8516 91326.3125 120305.3359 138916.0313 213840.1875 140937.8438 107431.5 175929.8438 225225.2656 133341.75 127238.8203 72529.3672 134040.4531 131425.0469 103115.3438 183064.4375 233836.2656 263920.9063 147792.0781 115838.2734 136574.0625 109077.3828 166261.2969 239130.75 55604.2148 128488.1484 174892.7031 263420.8125 159342.7188 98583.6016 82793.0234 126392.6172 99053.1484 109425.9375 81606.6172 84332.6328 125223.7109 186584.6719 275342.0938 76389.7578 167786.3438 167884.8594 161928.2969 187475.7656 189370.75 165308.0938 145763 194377.9531 186250.5469 138959.9688 112477.9844 75278.6016 172489.7188 146817.0781 115191.9688 131214.9219 120154.6875 171724.125 93610.9766 77926.8281 98811.5234 153920.3125 107144.3828 158783.9688 113038.2969 95774.3672 124623.0469 186584.125 180339.4375 115226.9297 117073.6875 82356.2109 211892 106714.8906 105880.4297 117725.5391 236096.2969 189375.9375 101703.5 194685.0156 244773.3125 250341.0781 226733.0625 163724.0938 111818.1094 139368.7344 76291.3828 107384.1563 201008.9844 198289.0938 150419.5156 125707.9531 142507 92562.0703 193903.7813 140099.3438 80674.5078 79400.0508 133420.125 135311.5469 137494.9531 175875.1563 108246.8047 100261.5547 113180.0938 154513.2969 154636.9688 255417.4063 289185.1875 163795.1719 295429.875 169522.7969 97460.2891 311311.7188 126032.2109 141410.1094 137056.2031 254701.3906 135108.1875 215537.25 171993.625 69467.7031 127193.4531 109970.3281 93831.1797 154657.4531 189123.8594 126786.1328 156627.3594 129871.9297 242224.1563 145549.7656 146313.2188 165114.6094 149049.0781 198656.5625 240569.7188 275936.25 154021.6875 67366.5313 210847.6094 165630.875 220490.5 211149.2969 171632.9531 158552.5938 190175.2188 72612.5391 90508.8984 130361.9766 227312.5781 131619.125 131072.4844 128549.1719 152683.8438 135392.9219 270999.5 151210.9375 102530.1016 205195.7813 150056.1406 69790.1016 100172.7188 87395.7891 90057.5547 292728.1875 210619.625 87694.9219 210127.75 104346.0234 65122.0352 130316.1719 159616.3906 104986.5469 181970.9219 163144.1875 127918.2188 184624.875 202577.625 109956.5938 114537.2969 166857.5781 124998.4688 131970.8906 116687.5859 128005.8281 128827.0469 112416.5703 82866.8203 92871.2031 94620.5938 139235.6563 162118.1094 95212.6953 71944.5469 77925.125 243018.7656 72723.7188 122807.8438 82000.6094 124634.4688 205767.3125 122733.5547 122641.9609 173197.5156 191221.2344 179845.7188 88141.1953 215401.1719 275872.2813 157499.7031 100298.3047 128806.0938 185909.5156 232937.1094 128066.8906 123580.7266 135537.9844 234491.4375 176270.9688 148280.0156 81577.3906 101809.25 191823.4531 161440.8281 159996.8906 155204.25 138265.2656 222261.0469 193052.625 83852.8047 175000.0469 264749.8125 221154.4063 162954.7188 130626.9531 178374.0625 101763.2891 129230.4297 178421.3438 73069.3438 85009.8281 190282.8906 156908.7813 143091.25 167585.6875 197371.5938 97611.8125 100515.3281 143365.3906 210144.4688 169249.0938 63125.0664 232985.0781 126018.3672 130248.0391 159374.5313 148532.1875 207805.375 269235.8438 137236.3594 178690.2031 121548.4844 133488.6563 92617.3906 120285.7188 290362.9063 187761.2344 93287.8359 127640.2578 122697.8359 152803.6719 119575.3906 211523.4375 145241.375 232571.7188 192343.5 152241.4531 178645.0781 140995.0938 183819.6875 139661.3281 106889.6719 161543.3125 129909.6172 111173.4609 215834.5313 161576.8594 117242.9688 124896.0391 136319.5781 107395.0938 58782.1602 82943.8359 138853.7031 146752.5469 109258.0781 120535.4141 156371.2188 205087.7344 180441.0781 129884.2891 99636.1953 102520.5391 178769.125 226306.875 110882.8516 200148.6406 162875.5156 143301.2188 346846.125 150428.6094 153929.3906 158746.75 111937.5938 172416.4688 125705.9297 127437.3594 179969.1094 105923.8359 89704.2109 101173.7891 149053.2031 175139.3906 232476.9063 158599.7344 327368.375 142393.6406 73563.8672 159257.3438 280537.0625 117293.1953 110307.5469 149132.6406 124192.3125 228931.25 197028.8125 130939.7891 190864.5781 153510 174888.6094 222275.1563 134079.3906 106654.6484 61687.8672 175536.3125 237245.3438 145791.5781 134648.7031 348519.2813 111108.1016 188065.5938 202276.0938 121802.4063 244694.1406 73431.3438 121009.8672 129396.4219 119614.0781 112250.1328 194178.9219 123405.4375 107718.6172 156405.9688 260273.4688 126374.3438 56734.2695 172319.8438 137032.3125 134864.0625 107156.4297 82581.5469 154305.8125 155503.4219 82539.2422 144340.1719 113106.4375 127736.1406 124459.5938 144605.875 132722.7969 135643.8594 172888.1875 167640.8281 106302.9531 140206.1094 152820.3438 222133.1563 205006.9531 124675.9531 177869.5156 100576.8516 130742 136630.6875 142210.5156 145875.4688 132653.3281 315201.5625 143408.0469 236236.9375 367113.0938 295936.5 175118.0625 163812.9688 85393.9297 121616.0313 242687.1563 186994.3125 86794.4453 143251.7188 121377.0625 110002.125 207925.8281 151855.4531 86010.7109 86981.2188 241568.7031 164849.9063 86148.125 187186.4688 100597.4375 188902.0625 205708.25 186636.375 134933.9688 155230.7031 145479.4219 184639.9688 148108.2656 107955.6484 170173.2656 84601.4609 186340.4219 110410.4219 108110.4453 145080.6563 118415.8203 147518.8125 208276.2031 87299.2344 141142.4375 152449.9063 149969.8438 91383.1328 266942.7813 178152.7188 201127 92021.0234 67090.4688 126038.9688 180891.2813 143978.1406 129237.0313 120894.4375 130688.1328 163016.9844 181669.25 106038.6406 131799.6563 131309.1406 200565.9844 117865.5313 161849.8438 97502.1484 190606.5781 419214.7813 84629.3984 79785.1172 67709.7969 125252.875 180700.6563 112241.4141 86909.6641 143005.4063 71966.1172 139647.8438 120151.4609 134507.7969 104616.875 163951.2969 436284.2188 110280.4453 123592.5703 199373.0156 128429.875 167592.8438 136697.1563 85757.4375 188213.1406 157021.2031 103390.8047 129143.0781 102584.2969 141650.2344 133019.25 169575.7813 132618.75 159254.6094 78197.2344 204088.2344 133936.6563 134312.125 159086.9063 134244.1719 150116.875 169596.25 134468.3906 134424.0625 111530.4453 149483.25 155515.875 143657.2656 161335.9531 246044.6875 111282.7734 124628.2969 193432.875 100617.5078 185004.2188 87848.9063 141394.125 204248.1719 104250.4609 175329.0156 268808.875 120919.5703 139797.4844 132026.6875 138101.7813 213019.625 188255.3438 59788.0703 224795.5 97984.9844 169998.9844 226605.25 168490.2656 270726.7813 103356.4844 138091.7969 128990.125 100707.1016 213231.375 N-acetyltyrosine 115797.2109 118493.2656 0 111535.7422 113047.6563 83016.6953 166313.4063 90007.125 98658.8438 90612.5 198813.0469 102256.1328 180339.3281 86886.4844 116701.7734 53174.7188 87607.5078 191909.875 75153.3828 134029.3438 81587.625 149597.3594 158636.9688 88523.5547 0 87353.0625 110516.5781 93141.2891 47493.3711 125405.8516 62696.1563 127138.2891 179030.9063 91636.2891 125084.5156 126222.5625 140335.0625 107476.0078 100243.2188 179922.6719 75988.0859 247716.1719 206776.6875 95294.3672 66462.8047 90472.6719 96731.1328 303011.3125 74324.1406 143569.7188 165053.6094 105003.8828 147837.4375 169035.5313 126203.8672 112231.3047 59030.1523 151361.0156 81811.8438 85714.0313 102816.6875 193369.0469 195496.9063 131476.7969 64939.0703 136025.9063 81666.8438 51072.1172 112343.4922 53239.7656 74647.0469 73318.4141 115500.1406 53107.8984 205473.0781 78456.3203 135261.6563 146466.5781 110540.7969 91217.8828 154503.0625 269597.0313 164834.9063 124599.3516 143149.5313 66610.4922 142226.1094 113872.1484 102879 115523.9063 91735.2266 89195.0234 121409.1875 73170.9453 173026.1719 154875.1094 112940.0469 80491.0547 83026.3203 169727.25 68046.5 164122.0625 85377.1563 67032.1016 221770.2969 77656.4219 117153.4063 192355.2656 86381.375 117212.5156 120590.6641 97091.6641 112111.75 113685.7422 226866.7813 137503.4375 273531.3438 160147.2344 124412.6641 89110.3281 105141.8203 71210.7813 130011.8672 123633.1563 89661.7109 62421.9844 95633.75 79852.8203 79428.9609 83529.6875 93120.0313 76334.5742 72640.2656 158654.4844 122099.2578 110688.3047 92468.6563 95500.8594 114317.7813 113784.7109 85711.8828 92424.6953 205940.7031 85844.7266 155586.2031 123653.9297 66492.9531 211926.9688 73112.3438 148660.6719 75590.3047 307107.2813 59813.8828 124499.9219 139411.3594 76686 68457.4609 70506.8594 77261.1328 122290.6875 107234.1172 85612.5156 85077.7813 113267.9688 90612.5 77277.5547 136305.3594 231749.3906 104583.3438 127268.4688 146989.7344 258196.5938 210110.1094 63776.7266 124065.2813 88679.0469 261089.25 171082.8125 201861.1563 68521.2266 140755.7813 79674.5625 64556.4961 86605.9063 102406.7813 150277.3125 160945.2969 123751.8438 96483.1875 91776.8203 192195.5938 92467.5781 109098.0234 131340.2188 164660.6563 57698.3008 74726.625 90191.9766 113671.6797 89135.0938 102876.5547 101413.7266 200961.9063 48677.3672 94800.9609 105161.3594 85657.2656 88737.8281 168625.5625 122990.8203 217352.1406 209896.6719 125003.4453 94774.1484 90612.5 131119.75 77672.4297 160936.2344 178049.0469 143062.2813 153850.125 124064.2891 59789.4102 81441.7188 86679.875 115659.1641 229252.6094 142441.7344 49556.5781 118447.5 106065.7734 69338.8359 45117.7461 60324.1289 110994.0703 150203.6563 138778.3281 115472.6953 136035.7344 231368.3594 108452.9063 59749.707 143356.9219 227292.0938 135913.4844 55900.7266 116332.25 99689.4375 121035.2969 73495.2891 51936.6523 58822.7266 236284.0313 167084.0469 105907.0938 128760.0781 60136.6133 129887.3438 106173.9063 120710.9219 121807.0391 109046.7266 127406.8438 171206.2031 254414.8438 89293.1953 219330.8281 108262.1563 101491.6953 183452.7813 175994 122958.4531 136257.2656 82089.5938 29794.0781 87128.1875 159427.3906 98051.5156 260148.4219 162935.375 128035.9609 60215.1172 57863.207 102617.1563 120533.9609 107191.0625 127365.3906 124578.9375 136971.5781 94990.8047 121666.2969 47404.125 148018.9375 102660.9375 77340.3047 151535.6719 117641.8438 99943.4766 88577.4609 58804.8398 189055.0313 153375.375 106644.8281 100399.7578 155961.0156 91937.6719 111678.9063 267175 118663.4688 212160.0781 128945.0078 65244.3672 99510.3984 106686.5391 106764 121877.2578 100816.9453 137989.6719 100793.1719 82734.5859 118122.1484 103551.4297 108477.1172 107715.0469 126596.5 48440.1523 87067.7891 98119.4609 91217.5078 146251.2969 98986.5313 90292.875 79098.6719 84158.4297 80081.7188 82729.1016 77281.7891 87060.2656 117822.0625 132134.6406 129018.4219 187240.5156 122886.8984 81691.7422 211367.5 137703.7656 73770.0234 156874.5 0 231102.4375 69254.4063 94370.7109 138153.2188 185038.5469 126406.4531 115089 250775.9844 429255.3438 208604.7969 108942.5078 181619.6719 98658.875 136057.5625 161038.2031 186754.9688 176466.3281 186948.2969 107662.6719 112994.2422 360964.4063 182495.25 110099.1563 266291.5313 97953.0313 104970.0547 156364.1563 91706.7578 54449.9727 73967.8203 185452.6719 165406.875 201937.9375 96039.6094 90737.25 102602.5234 139278.2813 140566.1094 49143.9961 153677.3906 72282.1797 99249.9844 98766.0625 129289.8828 101572.8984 103461.1875 151224.0625 141684.5313 108451.8516 138187.5938 161303.1406 134738.5 184509.2813 118406.5469 80372.0156 105314.3203 128013.6953 85969.3438 149657.0625 59110.7734 104056.1406 96895.9375 117390.8281 79374.4219 102297.4922 96963.7969 81065.7813 86614.2891 80064.9375 70760.5313 64915.5195 126073.2969 99106.6875 101656.6719 107989.9609 197671.1875 91523.6172 90229.5625 139636.6406 136832.9063 100639.5156 110371.9922 180170.7813 135651.4375 107474.8359 318221.2188 95968.4922 91640.4609 239589.0938 128533.4297 106964.7031 203224.5469 84902.3828 71561.6172 110009.7969 82700.4922 74602.4297 91794.375 69556.1016 42163.9766 116549.3125 104632.8203 94123.75 44594.8008 192082.2813 91880.875 100837.3359 198953.0156 70471.8047 58618.1211 135599.4531 136613.625 133843.8438 69356.6563 99817.9531 105141.9297 215255.4531 71461.8203 93907.1406 103134.8047 77089.7188 68197.8438 96279.25 82437.2344 109080.4141 90500.1094 174765.0469 117043.5156 55371.957 149076.9219 120613.0547 89223.5547 146391.2813 103553.8828 162033.8594 142637.0469 92448.1328 84430.3047 167773.6563 108538.4219 171632.1094 131862.8594 153921.4219 256197.1094 124168.3984 180869 110324.2734 87155.2031 101256.1406 95735.6641 544650.125 91976.3438 109195.4297 80165.4063 163277.4063 128061.5781 115682.3203 77278.5313 92909.2578 90588.8359 150028.2656 161967.7344 176120.2344 80200.4297 232868.6563 166537.7031 133438.4844 117710.3047 74753.7969 237944.9375 144756.1719 147412.4688 65631 145823.6094 124502.9297 124014.6641 86336.7031 82038.4141 105576.9297 51254.918 117937.4453 128920.4141 142764.8594 95330.1094 169351.4688 129555.8438 98098.0625 187873.75 157593.1563 114583.4844 113520.7656 79037.9844 97291.7031 65406.2188 112911.5703 165025.5156 87132.4766 0 203930.125 57487.6328 112564.4688 92472.6094 68921.0469 118230.9219 90995.4375 79432.7344 200103.4688 118380.5313 143807.6406 129441 174641.0469 134458.4063 143626.1406 242771.3438 225589.7344 163352.5938 55165.3477 148149.3594 26348.5918 121432.3438 156197.1094 267346.5625 101918.7188 137920.5469 121591.3594 76165.5469 79995.0313 199646.7188 N-acetylvaline 351375.1875 405677.0938 305655.6563 340432.875 344663.1875 313023.4688 389212.875 336950.0625 268057 279971.0938 297823.8125 283582.5 282447.7188 295232.4375 217473.8906 238461.1563 324841.9063 232039.9375 280054.875 317202.125 264686.0625 286557.5625 300838.625 201960.0313 280201.75 247026.9063 299955.0625 276717.2188 221477.9531 478717.3125 192230.3438 282897.9375 362600.2813 298784.4375 273271.25 259676.6094 327923 261100.6094 302121.75 290402.6563 247940.375 329395.2813 385041.4375 251442.7188 225986.2969 206056.9219 235609.0938 279869 211464.4688 303718.625 278364.3125 284696.6563 315752.875 184487.4688 232760.5313 215363.5781 322003.8438 311779.9375 227828.2656 272909.5625 318092.5938 346692.4063 327394.625 221331.7969 249998.6563 347131.8438 273955.7188 303754 275305 340865.8438 282856.4063 253794.1094 321951.25 295682.875 279870.5938 272902.9375 313131.3438 278774.4688 255960.4688 256306.3125 308699.625 282673.375 337743.8438 326049.0625 317848.7813 235901.5781 281079.4375 259006.7656 344299.8438 269257.125 298825.2813 297083.25 383071.4375 299504.75 327179.1563 247135.5625 257488.9219 310856.25 255360.8438 292150.4063 316526.375 280603.7188 259566.6094 351514.4688 339210.7188 284730.7813 261974.1875 315003.625 312106.5938 293315.5938 288504.7813 328655.375 294861.9375 380218.5313 321778.2813 339486.0625 345000.0625 308558.0938 290819.6875 284340.1875 275386.2813 262756.4688 329282.0313 358825.625 261928.5625 296034.5938 260746.2344 292129.75 341905.5 319175.9375 304319.8125 253604.2422 249474.375 249934.9844 213909.0313 314160.75 302783.9688 239200.5469 249279.5 322974.8125 304027.1563 333798.2188 373906.9688 280270.9375 318060.2188 255773 265175.0625 292936.6563 283419.8125 271086.375 247457.8906 228876.0625 255850.8281 259537 316350.25 303059.9688 329905.625 240841.3594 284467.125 264492.4375 332409.9063 246268.0625 221337.9375 341803.5625 366486.3438 268574.0313 310895.2188 354684.5313 427511.0625 280194.875 313066.0938 252186.4531 255954.9219 238766.875 457661.125 387720.3125 302190.4063 309339.5625 329227.125 274665.9063 349753.5313 245009.4063 310623.5625 340419.1563 264141.2813 292826.7188 291982.8125 289694.6563 243390.7031 274978.9688 304669.5938 273657.75 316155.9688 320261 309784.3125 268494.9063 240722.375 246587.3906 306357.875 277210.0938 304329.0938 246131.3125 293385.5938 245428.625 292593.8125 343258.3438 340328.0313 309746.8125 216752.375 279460.4063 319308.0625 255411.7031 276241.625 247605.8281 282131.375 253428.7031 315334.0938 245589.9063 250466.6719 286583 268117.625 272542.5 246184.0156 237198.9375 259217.0938 341925.1563 285644.0313 296680.5 304661.6563 256184.1563 257723.0156 238258.0313 300464 247815.7188 270095.7188 300545.0625 316421 285966.3125 283974.8438 290690.5938 285652.6563 280822.5938 312711.0625 385101.4063 290177 334879.375 301843.5 315468.4375 321273.7188 273611.5313 310402.875 188330.125 337068.875 327196.1875 310412.125 222158.5781 274442.5 333774.125 299315.0625 393885.0938 311478.8125 361119.125 287612.5625 325472.5625 250373.3281 318622.2813 345482.6875 298793.4688 285220.625 270667.125 317908.4375 256832.3594 371976.6563 343734.4688 232936.25 230677.7188 291049 397042.8125 352330.625 349556.5938 397210.9063 211707.4688 347229.6875 296479.4688 414360.3438 348028 286436.4063 345672.5313 258506.5938 294514.625 277468.4375 338894.8438 422350.4375 327336.3125 343134.875 343731.125 323205.4375 337441.2813 259692.1406 304316.8125 294458.7188 356885.25 347025.0625 340417.5 369358.8125 296337.4063 323585.7188 303881.2188 296439.7813 340864.7188 362117.7188 326497.875 347253.3438 348859.375 278284.5 298146.2188 315755.7188 306445.375 290692.0938 373598.8125 347436.5 321776.2813 231632.8438 300716.6875 298284.3438 284170.5625 341957.6875 351513.6563 317987.0313 281416.125 279352.9063 336362.0313 262124.125 338349.2813 261968.4375 343508.875 154315.1094 265921.0313 301576.25 238838.8906 293699.75 332795.625 266665.6875 295040.9375 322292.2188 370794.7188 311866.5 276271.125 295030.5938 350696.2813 388364.5313 273067.125 284591.4375 285878.4688 307723.9688 282612.4063 257801.9844 304009.9375 332408.875 344162.2188 306982.2813 314377.4063 176754.875 242229.4531 395151.1875 217705.875 275484.1563 288969.6875 293789.4063 304727.7188 245009.1875 260338.4063 280229.4375 309114.7813 338896.1563 282769.8438 340049.1563 284093.3125 205221.5469 257063.2656 362146.1563 281425.8125 270044.3438 268136.625 231779.9688 359339 246104.8125 284803.6563 355948.7813 283715.8125 240299.8281 324781.2188 330621.4063 400597.4375 270779.8125 281096.9688 287942.1563 296371.4688 314333.6563 348892.6875 246260.6875 293085.9375 329536.3438 344997.3125 276060.625 317295.7188 270075.5938 373872.3438 188504.1875 360547.5938 275773.0625 300093.1875 288293.5313 367404.5 287933.5625 272223.2813 373407.2188 363924.2188 247965.625 307963.8438 233635.4063 292547.0313 323352 318036.125 293519.4688 284391.25 315005.625 301571.1875 286777.25 233028.2188 282450.9375 314475.25 302332.2813 341896.7188 297660.6563 308498.9375 257524.6094 506080.0625 251209.6719 272565.5625 295169.2813 308585.625 274421.25 392960.2188 351837.6563 260439.25 246864.8281 300653.0938 276063.5313 203031.4844 302806.2813 308888.4063 248729.2344 346627.7188 280800.7188 315791.4063 334234.3125 345582.1875 345932.2188 292734.3125 279066 392104.6563 317990.1875 351949.9375 321055.8438 281691.0625 306943.8125 328078.125 330413.4688 289842.5313 266706.9063 343774 273514.4375 257033.1094 327778.2813 251665.7188 299315.1876 268541.4375 250457.8438 414876.3125 333213.9375 304450.3438 320382.3125 342678.1875 236360.2813 335089.25 235855.1563 252710.2031 327662.8125 289805 317049.5 356168.625 330118.6875 263422 285576.875 234905.5 321484.125 312645.6875 333418.5938 351916.75 218360.9219 223358.2031 196646.6094 291589 264930.2188 287591.6875 257703.5625 263031.5 263035.8125 309231.9375 266515.5625 275692.875 223655.9219 308536.5625 309878.1875 344506.8125 277750.4063 269216.6875 286131.0625 271939.0625 355914.5938 208543.7344 265031.1875 280826.5938 286871.0313 272897.4063 252746.5781 265518.375 205381.3281 249238.4063 309245 278316.125 299271.7188 276931.0938 279391.5313 351030.8125 232933.7188 285394.9063 346682.5938 225328.5938 249262.1563 517605.0625 264757.25 309842 307177.5313 359609.5625 250143.7969 325045.375 281109.0313 306928.5938 328842.375 265375.375 343068.9375 299612.5313 276090.375 393123.9688 275390.375 289166.4063 288001.4688 270652.7813 404217.7188 404310.875 345442.8438 345968.75 496117.9063 165636.3438 355746.25 279852.875 334520.0938 296047.5313 357765.9375 331384.8125 274044.7188 243664.3906 290435.125 202488.4063 350613.75 N-delta-acetylornithine 605210.0625 903006.6875 1153821.875 2117174.75 2152422.5 2246295.5 642903.4375 574445.3125 892009.5625 498275.875 468612.4063 595906.25 636040.75 333835.5 460397.1875 1133505.75 1728704.625 279426.9375 445696 325916.7188 388961.5 392100.2813 1157661.125 1834214.875 430383.4688 501085.7813 543073.875 966854.9375 623511.3125 1549844.5 931127.375 450461.2188 471386.7813 547064.625 1141308.375 413808.4688 450046.3125 308658.375 278348.1563 546570.5625 606203.9375 182313.2031 455399.75 301155.7188 347193.0938 727261.4375 604089.3125 746065.75 574998.1875 363906.125 587464.125 602125.75 190690.6719 155488.6719 304260.5313 433821.9063 781536.375 743880.0625 829788.5625 651492.125 1157875.125 593500.25 706680.3125 1226747.125 285845.5625 349677.9063 538469.1875 687938.25 411013.9375 259913.6875 1045741.938 2610002.25 2314884 956428.9375 761389.5625 332300.9063 731153.875 676961 415607.4063 121736.8203 1205694.75 246023.2656 743137.0625 300103.4375 137136.0469 738595.875 451399.0938 115251.7578 1506814 972815.625 298095 892355.6875 1423183.5 620184.875 267465.5938 659858.3125 971625.5625 598562.5 667277.5625 234283.1875 1259256.125 410695.75 533148.125 823793.0625 383259.1875 640902.9375 773563.125 144244.1406 589165.0625 587919.5625 1167856.125 661991 903219.3125 1285788.375 491915.2813 770851.8125 410296.3438 204938.9844 243862.4219 400158.875 218053.6875 228944 892733.5625 1200462.75 407575.375 399674.6563 831695.4375 1210978 583761.375 773769.375 364865.375 548152.7969 439993.6875 564239.6875 272428.9375 604311.5 333546.2188 292900.3125 308590.75 408798.375 930883.5625 364225 680838.6875 392956.3125 769857 318098.7813 573202.75 230088.8438 972915.0625 554476.25 426621.7188 369821.5313 469836.9688 504392.5625 308422.8438 719733.125 641430.375 1332851.875 512566.5938 358832.8438 1352160.625 619659.625 1449911.125 852825.5625 1296465.875 845471.75 890433.3125 445905.3125 303446.125 1026200.188 1190819.375 498166.3438 316566.7188 372213.5313 1179477.125 671669 177584.2969 518540.625 194102.8438 545208.625 355908.0938 962246.625 385894.9375 924501.625 895393.1875 683161.9375 290088.0313 699357.4375 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373731.625 389164.7813 1254607.5 670998.6875 675904.1875 460369.875 1480202.75 977444.625 749927.875 939691.6875 456945.1563 683719.5625 1057835.375 801173.3125 976057.1875 263858.1563 697197.5 709697.4375 323903.3438 779488.3125 804697.8125 792065.6875 1012468.688 367341.125 1235902.375 819678.5625 244331.7969 514867.9375 621338.125 294788.4375 291720.0938 893598.4375 1248199.625 827749.6875 435862.4688 425616.1875 877494.4375 455830.875 368850.3125 659331.9375 388784.0938 1211365.5 630892.6875 886231.9375 1151900.125 374604.375 705617.9375 298837.3125 2880781.75 971556.875 577529.5 673444.6875 691409.5 1116145.75 571098.75 827405.1875 1208320.875 785736.75 385304.7188 301971.3125 525678.125 703816.875 291444.375 322047.1875 944638.25 412521.9375 974908.9375 849367.8125 975696.0625 409961 1194733.625 291704.2813 650743.4375 689931.875 332834.0938 258502.125 677041.6875 723677.5 325666.7188 1054053.5 887799.375 1251082.75 3847385.25 1155531.875 248183.8125 655543.0625 594482 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292623.3438 938405.8125 571261.9375 242179.3438 839608.125 1633503.25 1034503.875 486643 291823.375 514208.25 1361378.5 519031.3125 679763.6875 634454.6875 355685.6875 593923.1875 905268.0625 157929.75 384734.8125 313993.0313 722990.125 209014.6406 1567268.75 1554705.875 965071.5625 2591830 486606.9688 1272957.625 345402.9063 165893.0938 221644.25 340190.25 1732509.25 N-formylanthranilic acid 172629.75 148806.9844 126662.9141 156369.6563 1038720.063 80574.1641 146029.5938 177300.6719 69529.4844 93401.2969 116241.5 121325.6719 107213.9063 131565.5 67651.1484 76881.3984 92945.6875 136361.8281 137998.7969 161150.2813 118492.5781 92298.1406 105388.2031 92206.7891 135291.3438 118835.3906 104689.5391 146327.1875 79065.3359 152943.4688 66994.4453 88397.0781 201961.9375 104773.125 128743.7031 92881.1328 125185.75 96365.1094 102870.625 100254.5078 160624.5156 165360.9063 143847.8594 126146.4453 74099.9531 90618.0547 104879.1016 310757.8125 85251.7813 61623.9531 154636.5781 177078.5 170972.2813 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129289.7031 87385.2188 61920.0039 96108.0078 94405.0156 112393.6563 294098.0938 195592.4063 79495.7578 83882.5859 113544.4063 116241.5 102132.5703 152303.9688 70920.6797 162086.7813 323529.4063 102719.625 203789.375 105595.7813 119620.2813 104741.6719 205708.0469 533241.875 74083.9688 113117.0703 89122.4531 86720.2891 106169.7031 82839.8594 173562.3125 163880.5781 99832.5703 119217.2344 128591.5 202811.5 99399.8984 106970.8594 78294.1484 141876.6094 140480.2344 206778.9219 103912.8906 88271.5625 131496.4844 192779.8125 103357.25 156221.4375 92847.2031 137996.75 184223.5469 113424.1094 537422.9375 145501.1875 140175.3906 169695.7031 116004.9375 202523.375 121568.4766 122777.3516 200029.6094 66203.5859 91334.2266 240063.375 87870.6953 142556.0625 236107.2656 208564.9375 109250.8828 223736.7969 182066.9688 56529.4023 120098.6953 314822.1875 140222.4375 166543.4063 117334.3828 132824.2031 152980.6563 64008.3594 144225.875 74321.9766 175913.2188 122102.7188 65009.1523 149812.4844 150682.25 151600.6406 123407.8047 227753.0469 121208.0078 106053.1641 212333.0625 97656.0625 107508.4844 98494.5547 136607.5156 88911.3359 90464.6641 51975.8203 138918.4063 174152.75 111381.1484 108239.3516 124760.3516 170719.75 118996.4766 86845.5156 89927.8516 59471.8555 88371.5313 142671.7656 124271.7266 108907.9766 181665.4531 52978.5781 158412.8594 84649.0547 55617.7617 147183.3594 231657.1406 127039.8438 73782.5938 209979.7813 75015.4531 148955.2813 114612 95298.2109 132091.3438 99428.1484 124043.1563 131978.2969 248199.9688 316195.9063 122962.4375 64153.3008 82072.4922 156281.0156 110171.2422 87297.6172 424780.0313 124844.1719 377204.0313 110183.4219 85997.9375 189751.6719 109873.7031 174171.7813 71011.75 123582.9609 154228.875 66053.7344 78539.1719 165694.4531 113469.0625 107922.3594 109744.1953 73057.6406 134674.5781 111273.5859 77337.0156 276007.0938 135150.7188 130064.7422 254695.0156 146620.5625 156769.7969 115943.1094 74100 98467.2656 45152.6836 77304.1484 114392.3359 107528.9844 181779.3906 112346.3203 187875.6406 127040.2578 123612.0078 118319.9063 137873 64268.2422 151841.5156 89658.8438 86090.2344 127491.5 166276.3281 87915.0313 124227.2891 146376.5625 85632.5391 113272.1172 134160.9688 111392.7578 136484.7188 132221.5 164378.6563 92507.8125 113783.8359 165386.4531 163507.5313 138991.25 64355.7305 126284.7422 165432.4375 100429.1719 78922.75 129281.25 172695.4063 115622.8281 128408.5313 77936.9297 129902.1875 80149.2109 167298.8438 132732.5 169426.625 172382.625 96740.7422 61124.3164 200467.8594 80539.9063 106638.6016 78137.3672 138520.0781 85860.2109 109585.3594 127198.0156 145988.8906 156546.8594 144807.0781 118769.0859 200961.6406 211944.2031 101542.2031 225165.0313 125422.0859 120241.5391 226442.9531 348897.7813 133924.4844 111068.1484 98527.6172 91230.5 159806.2656 116593.6797 250654.8594 115767.8203 79217.2656 103458.6914 108766.8281 110174.7969 141372.4063 173966.7344 197832.2031 166687.2813 92310 91116.25 93903.9844 207537.5313 105489.8125 103473.0391 76169.0703 143962.0781 169546.3906 270524.3438 86476.0156 59118.7227 275358.2813 107518.0156 88946.1641 154283.4063 132501.2813 159286.8125 89326.3672 128160.0625 113021.0313 79864.5938 89853.625 101402.7188 97814.9844 98904.8359 87425.9922 220945.2031 72651.4922 94458.6406 97181.1563 160022.4219 133793.3594 111652.3516 98680.9609 95125.0313 113089.1094 138706.0156 76550.2031 91075.1641 59900.5586 72828.3203 107315.6484 98387.9219 184744.75 101067.4297 113595.0391 109774.0078 170299.0625 88913.875 135428.375 148560.2188 240236.0313 100713.5781 56709.5898 135309.4375 104804.6875 126070.8984 118847.0156 164470.5156 117278.9063 98920.6484 94529.8984 102476.0547 94338.2734 87587.3672 128108.1094 196443.75 120183.6719 98113.9141 509691.125 139112.0313 78234.6953 106763.8516 124274.4531 135332.9219 104714.9844 94980.8906 106018.1797 167416.3594 134613.1875 379925.5 113745.0703 139839.5625 127977.2734 188065.6875 130482.5625 97475.2656 131841.4063 99391.9922 114779.4844 86673.4141 114226.1484 192086.9688 N-formylmethionine 2076925.5 2548936 1539988.625 2111607.25 1818517.375 1910042.375 2319935.25 1823029.375 1410919.875 1862686 1834382.75 1806520.75 1801064.625 1716968.875 1275754.625 1548462.75 2140605 2061477.75 1687258.125 1769367.375 1512140.375 2032370.75 1702111.875 1341192.75 1459562.625 1372613.625 1803867.125 1492277.5 1021919.25 2715227 1002581.813 1683360.375 1882033.125 2097903.25 2042063.25 1307586.5 1820949.625 1467124.5 1370677.625 1542592.75 1978757 1968000.375 1776532.625 1679876.75 1237232.375 1136981.125 1345112.25 1350015.5 1290033.375 1926212.125 1500121.875 2177515.5 2028993.875 1177723.125 1397155.25 1269042.125 2076906.375 1954372.625 1314086.375 1396834 1717880.625 1865520.375 2056130.75 1339480.125 1362804.875 2100104.75 1733792.75 1470943.5 1530790.875 1782006.875 1749696.875 1438374.25 2093541.875 1477539.125 2170602.5 1591691.5 1990189 1494732.75 1529852.5 1529892.5 1694000.5 1870056.125 1800339.25 1919594.125 1822216.625 1901349.75 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1745935.625 1850820.75 1520494.25 1425726 1604566.375 1307794.875 1695677.25 1794403.25 1391418.125 1390027.125 1950020.375 2002254.75 1833336.125 1866037.125 1717980 1123771 2150697.5 1843275.75 2209768.75 2116211.75 1600978.125 1649990.125 1432043.625 1524686.75 1540304.75 1726404.625 2242224.5 1676009 2383267.75 2345587 1896320.375 1930389 1344031.625 2100054 1995090.25 1685989 1955160.375 2438270 2017087.25 1949159.875 1970326.375 1680681.625 1905900.5 1834715.75 1757855.625 1823298.875 1851392.125 1872964.75 1399656.25 1708765.625 1658463.5 1917896.5 1807372.75 2549465.25 1782637 2001791.75 1371822 1707292.25 1817636.625 1469457.375 2306091.25 2163825.25 1741559.75 1391349.625 1519400 1952908.625 1812028.625 1707675.875 1548100.25 1856185.125 895581.3125 1332757.875 1990699.625 1268256.875 1618480.25 2114954.25 1643318.75 1822630.75 2019031.625 1682214.75 1694857.125 1765204.5 1672262.5 1985968.5 1981322.875 1500941.875 1566067.75 1641608.125 1454990.5 1723560.75 1639430 2106676 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1417561.75 1753910.875 1640747.375 1044170.125 1815439.375 1453803.375 1666808.375 1738363.625 2019325.625 1827305.25 1699350.25 1354279.875 1980411.125 1749649.125 1977639.75 1779317.75 1551863.375 1585032.75 1935374 1941665.75 2046798.625 1630267 1993341 1401597.625 1804268.75 1855968.375 1305395.875 1905198.438 1506811.75 1655140.25 1746902.75 1696606.375 1455761.75 1602949.125 1938367.875 1444538.375 1745856.75 1099664.875 1423909.875 1832235 1882249.75 2034379 1673306.125 1820693 1169696.25 1499910.25 1226936.5 1436315.375 1534606 2186116 1839178 1371173.625 1486390.25 1114294.75 2023553.25 1840391.875 2059497.5 1491120.625 1529141.125 1629076.375 1793481.875 1858399.375 1623939.875 1500714.75 1875050.25 1880377.125 1747412.75 1612309.25 1520457.875 1665314 1570495.25 1616343.875 1289281 1552315.625 1425229.625 1416220 1415173.75 1551439.25 1537937 1437912.75 1765864.25 1567512.75 1717340.5 1748813.25 1622671.625 1424858.125 2512130.75 1546257 1822552.375 2163200.5 1323769.5 1337024.875 2967274.5 1599199.5 2052249.25 1678946 1736680.125 1485842.25 1419581 1505063.625 1868802.5 1952991.5 1595711.25 2023708.125 1611629.75 1552201.375 1784339.625 1678035.875 1623486.5 1837440.875 1607643.25 2176926 2166068.5 2058311.875 2253800.75 2398075.5 759179.75 2411398 1579792.5 1995450.875 1954853.75 1822177.875 1971174.375 1674055.125 1640448.25 1527374.375 1306054.375 2154125.5 N-formylphenylalanine 90259.3125 87109.4219 85424.4922 75715.8438 88893.2813 0 85778.9297 63077.4727 79449.1016 0 122836.1484 99555.0156 125004.8047 90224.8984 67030.1563 35501.0195 95394.3203 74494.0625 42123.4102 72174.4219 60155.1445 87984.4688 113335.8672 23063.5977 159072.5781 69793.0078 0 123055.8047 97198.9609 99593.6797 0 52405.4883 122442.4844 45168.5859 83304.8906 89615.0156 61451.875 72368.4766 70107.8828 86389.5859 71868.9609 42612.3398 98851.7109 94571.125 65077.9023 62873.0273 87523.8438 100058.1875 65306.9766 82606.0469 75204.7188 110926.1172 147871.1406 71772.6875 68966.0391 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75658.2734 72497.0156 100034.9531 79521.2891 104567.8984 67831.4375 60677.8281 85689.1641 0 75075.3828 N2-methylguanosine 78192.6328 203265.1875 57625.1563 146912.5625 144919.9063 128259.9063 91376.1797 98246.8984 97187.625 93426.3828 101605.5625 89120.9922 100643.1719 107372.3125 95670.7266 84539.3828 87312.5938 117982.7891 133734.7188 114738.625 84907.0078 96242.3906 75236.5547 87143.6016 62635.6133 73899.6016 85982 76262.6328 72597.9297 130663.5469 68409.3125 119590.3984 77417.0859 125503.3984 77890.1719 72920.8984 115074.5 134643.1875 138182.75 122422.1563 94693.9453 101195.9922 121470.9531 64629.7813 123018.9922 47728.8203 52514.5273 26304.4668 99836 56681.3633 124097.4063 81321.375 89336.0234 67549.0703 132404.9219 75215.7969 114698.1484 108689.5078 119583.5859 81857.8438 103996.3984 90174.2031 120674.0234 64668.9648 97490.1172 145825.2656 76552.6719 148772.6406 106254.5625 63377.0195 104887.2266 97430.0234 120072.9141 102070.9922 85060.0547 124286.0391 100643.5859 108739.2422 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176499.7969 108117.7969 65031.1875 70128.4375 62818.25 98460.8516 94147.5625 0 0 54996.9531 156372.9063 128091.1953 0 67674.9063 148782.7813 92578.1719 127565.9688 72458.4141 110657.9922 141080.3906 63183.9141 117678.3438 0 128749.25 98706.7656 120021.0313 97215.9375 143236.5156 96859.2969 148879.7969 53863.0977 50245.1367 78374.6563 78752.8984 114356.0781 127210.0938 57500.3555 122003.75 116660.6563 146620.0625 102250.2266 124899.8906 67818.0469 148077.5156 115104.1563 128110.2813 117091.0859 131145.3281 84334.0313 120793.9063 49398.2695 82136.2891 61938.6055 151953.3438 122606.5391 63899.1133 175289.1563 119269.8828 129830.6328 107758.4297 139572.2813 97252.7109 111090.9766 78676.625 99942.2188 133313.9219 76672.0234 81871.1328 113979.4219 95566.1797 86167.5781 89632.4297 92581.2969 86515.6484 77604.2109 100542.6328 73321.1406 140703.1875 136433.7813 85370.3125 179862.7031 122491.4141 112836.5234 60699.0898 56001.0898 81266.8594 124420.6094 105948.3984 91172.0156 136510.0469 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116953.1563 86413.3516 35511.8359 79825.5938 63208.6133 63213.8086 101024.4766 66179.0938 122606.9297 112604.6484 84670.1875 85708.7656 105605.8672 98686.8828 77488.2031 95836.9453 75999.7656 109996.1563 80523.5625 72561.8203 82987.8594 52252.6328 105912.8906 104030.7891 79081.0391 0 0 72698.9844 82708.0234 87699.2422 115545.7656 0 81478.5078 N4-acetylcytidine 104241.0547 383905.4688 161916.2344 184938.875 171478.2031 264715.8438 189474.1875 176729.25 181859.7813 132994.2813 0 136478.75 322696.5938 192359 180694.4531 94877.0078 0 165410.7656 208581.9063 142240.7656 131995.8906 213086.4688 56894.0977 160055.4844 197043.8594 91761.3984 140456.2969 187886.7813 93023.7031 320725.25 73370.2734 250389.75 204735.6719 175605.9844 145421.875 79448.5703 242973.7969 154628.25 133253.5313 85780.2813 143144.7656 141293.3438 164936.0781 0 153438.4219 147379.6875 116026.0938 98230.8047 171811.2188 175409.9063 149072.9531 108525.9922 114986 69538.9609 196763.5469 130781.6953 171826.4375 248832.5938 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2555532800 2457346560 3818788608 2668391936 3432133120 3432136960 2599031552 6856865280 1988072448 2412468736 1056520768 1126033024 942534208 4207304448 4928562176 3324613632 1670718848 1983504896 2784027648 1829971584 1947811200 3541834752 743716352 4017008896 1915979520 3248729856 717631488 3023390208 1635386496 2049914624 1380981120 2447506944 4634312192 3611598592 2712994560 3299631360 3589422592 1127340288 3178455296 2571602944 5205681664 1651124608 3014356992 3992528640 2995917056 610044672 2995425280 4099297536 1646275072 2020450816 1747177216 2797478656 904747840 1697112192 1640480256 2075823232 1883249920 2912223488 2271255808 2162806272 1997258368 5157086208 1507840512 2653909504 1742481152 2321675008 4815045120 4442783232 4118261248 4447473152 1595642880 2085425792 3647751424 2010955008 2792548096 4401781760 5969212928 1891207296 1739868544 2172327936 4724061696 3251311872 4987453952 1974845568 2164672000 oxalate (ethanedioate) 24116246 30722986 31145458 24602324 23498104 28822468 23997486 14987420 22703456 23471996 30992814 27341664 26132190 27752176 16963590 20905224 28515044 20545078 20673078 19518868 23198784 22199596 24284418 20245252 16817808 22403364 26478920 27781302 17754236 30645588 18765572 22795914 22524726 28865788 27557516 26081960 25851762 31124598 25429690 29882446 22849838 22006280 24648340 23903420 27474476 20577020 22935838 22207498 13830313 23660358 19650226 20804864 29895056 24918234 15750619 13735066 30914876 23306702 26349830 21986112 25896660 26867562 24319840 23932348 26064238 26099644 27974038 19069440 27580908 17116474 21546250 23212436 24900524 23819300 30341828 21780266 31567628 26998640 23120548 28333192 27773070 19370836 31184504 24003814 25439284 3967714.5 22414070 29176122 25672362 29555402 34976680 28859176 29350274 27849048 23471158 25727324 22621808 24796678 25093782 26801178 30602822 28586378 25579362 28161268 23548056 28615182 25247158 23650258 24554614 26660974 25137674 26557700 31129140 24207184 30034758 22703456 21257806 30238630 26970478 23497156 27314850 29485202 24737864 22296804 27365274 31532872 19645498 28452222 24918852 20404124 22386994 24783648 24353932 25630596 30490244 23663852 32919206 20468780 22221978 24708030 34859876 24241312 31925564 23871448 12736974 22072064 22425288 20893628 26977446 23794666 24879178 27543350 24615382 23898926 32696906 24846454 27046990 22745150 30712334 20591230 22198538 26368072 18058468 25428358 20534364 21881056 29295136 19687632 21385972 26839928 26495954 25129710 29371548 32212218 23020252 30791114 27305880 25333786 22809818 23078634 27768724 24711966 19977868 24747512 22791018 26970274 27005094 25146380 10051950 21303554 29352076 19650758 27612014 26166004 20737658 27274024 26267708 19533202 26856488 32061948 24203902 23984168 26273104 24974146 23037154 11447499 23949240 8403695 21139520 22661762 20690936 12764962 26944738 31656508 30046836 21035546 24225160 20421692 18304530 9079143 24845848 33091554 23851300 23914710 27017058 19753168 17661752 23892792 19011232 22790498 21290292 25959696 19309188 22038618 22423006 22676140 26519266 20917638 17926030 23837472 20806194 17549170 25530138 24080240 26920678 25917494 30065630 30929768 20653206 22966532 21724644 18339346 28415844 20625150 24709916 17286580 28752114 30203024 30515818 28190120 27490456 34631148 32499534 26867714 30358564 29216402 33293528 32435000 29337310 21384664 30102054 17462402 26881834 37546144 31434770 27698412 29355630 25699596 25516956 31836018 27319226 15410050 40447836 23183126 30552788 36246276 22462542 22730772 33917688 24678500 18522156 36329388 22703456 26683048 24745328 32102544 28287682 31239424 33567760 25218364 25137270 38026036 30099256 30348004 31746958 35303420 32368578 27510142 31372896 25871932 27472928 20842394 36359000 23169352 20304816 23852636 14995344 33625892 21267572 21740524 30095728 26542168 20650078 31931780 26355164 29539716 19148690 23776796 30299940 31358346 23633028 25345016 25168312 20822728 20513118 28114794 13578286 19778102 27738040 25243636 26345332 24048484 27795254 24798410 26611252 35128524 29880650 24004824 25669046 25721798 24394018 30457738 23090554 29245372 25511814 29927796 27549356 23831218 29899782 19429712 27171328 33008046 14159594 19141908 30674488 23216020 21696382 27591980 22497132 29984552 23065088 27375682 23972708 28460240 28611860 24464944 24277854 23274428 26876300 22810002 26089826 32953042 27601230 22482478 29345922 27169404 31157840 25220038 21747974 23818754 24605080 27398834 27980068 29371782 18218796 23937164 23258912 23682674 26301276 18518556 22513344 24348116 22758108 27964882 24392942 28879512 34732948 29710930 21952126 31343834 23843024 29911016 35134512 28390398 28285278 19186098 37360916 39861212 26477564 14703822 24939800 14374204 31784592 26698896 26581344 27664522 31323456 22649654 25256448 25814668 22204814 26662056 25199200 29236262 24130794 26374124 25655720 32633626 29625866 26587520 23590114 29590728 28252568 24310132 29242178 28493586 25692332 21268640 27944588 29027416 27507018 27253540 22928354 27202024 25342718 34937636 31205914 29246200 31159552 22112864 32574154 23171794 25516426 31684420 31485486 24895736 25309024 33627760 23738848 25222616 29507428 25991126 23771346 24929390 29811566 22830654 23654448 30013404 18027076 23232758 35523812 24793462 25474154 26480158 26774504 19735584 23832492 26706458 24527280 34333448 25874640 20047120 33808012 24251664 24419242 7490730.5 23197110 29037708 30812722 22022898 20425726 25462302 19462850 21174522 19447284 21613468 20061448 17333392 23566560 19887894 22736998 26435884 20326084 24800572 21031564 21843294 21756004 28304978 23069042 23401442 16176722 20723438 23301738 23290892 28078348 27393122 24425016 20375364 19712018 20448116 25553940 25364302 23990024 15770215 22703456 22586606 23470194 21075904 17275812 19615840 24077046 20221348 21289728 20940636 21652308 28661664 24651822 28063084 21897484 25670548 27487722 26465222 29949602 27882030 24481512 20342998 32748358 20857792 22894958 21498094 27549376 25583268 25815066 24936502 27034264 17428234 25434120 8945440 25696948 25535862 21043154 22709492 25997456 21278002 23901526 22012556 32373808 p-cresol sulfate 78371152 14510230 4493835 9275711 18129186 7263567.5 83144336 7635033.5 80425176 8628650 8243721.5 73579216 53330500 8475930 5589681.5 3720952 106703032 48913860 6012635 21268768 4226614 6492495 17467524 14004988 3775413 505658272 4424238.5 8581837 3554777.75 15819434 3274690.5 9703354 6076743.5 3240383.75 50536672 43174228 4148217.75 6468138.5 3500274.5 8360493 74836472 5797786 4740650.5 5020437 2970210 64158288 6492000 125192760 44156716 20940248 12560746 55884056 5264330.5 54035532 6004801.5 317622784 116529160 5755449.5 5067202 5278311.5 3396485.75 18080696 2672671.5 64600160 296821536 4913332.5 7142776.5 2827919.25 1927650.375 52746672 8887715 4955564 5582090.5 13826787 15789998 2052181.75 4465687 7521051 23753174 6206146 12986197 323602272 39863776 3818056.25 22218574 3305401.75 50464652 5056185.5 56455916 26367424 5114093 9273388 4650883.5 11090527 229150672 2501481.75 21618966 1418065.875 5311417.5 2804519 5439154.5 23245474 5952102.5 10717697 8882098 4180583.5 38054328 1058707.75 2034383 96283008 5134588.5 51244944 1312355.875 21777238 9248899 10310038 25760752 9926545 11500006 7108126.5 951055.5625 7479795 3315213.5 9405090 26145662 6037682.5 163868624 23805428 9550931 6431831.5 14720321 59437972 6514136.5 69121248 3714176.5 145885280 4644236.5 2773468.75 7804863.5 6130527 3254224.75 12743689 10467042 10012192 4684103 3409323.75 3558830 7007872.5 3674330.5 540595.5625 5962347 4600805.5 3351762.5 70868016 2979369.75 3048570.5 21013876 7379868 5658314.5 2986756.5 4188225.5 3661560.25 251327952 13196338 10519937 10400453 5603244 6663319 4289221 36224696 72606872 23754000 3850425 6642369.5 3134472 15117993 23921132 10004050 5711361.5 30228578 4005217 3016296 2225165.75 6031756 9133363 36171620 3840651.75 6771635.5 19528834 7671753.5 39899612 144635040 42529608 8553282 12424905 70645632 96524584 7960205.5 12908764 53826704 4097093.75 9352974 59361168 21868546 7862778.5 5863687.5 3836830.5 1639592.375 5184724.5 5830557 23360260 11970010 6978884 7099260 43102168 1683613.25 8056237.5 35446732 460376480 7607149.5 7505666 4845898.5 932996.375 170783680 3321738.25 11278285 6884396 5604931 4933917 4386522 36724804 4673921 3752912.75 9935391 30229592 3981168.75 5099962 1656749.875 2873623.75 9920864 26906478 2071379.125 7033620.5 11536639 8943575 3570908.5 3695575.5 25037964 9783030 3454730.5 2565122 7677740.5 12482429 4444660.5 5806449.5 1179745.625 115122664 55765828 4231137.5 4401150 6233894.5 58111644 8128608 9178122 21918972 14809112 45511628 7392385.5 66404340 2685494.75 7418294.5 300114464 43482476 93035832 161472528 64386724 154574352 8127147.5 7705902 121123816 11775426 70032936 11265979 3466781.75 59361168 3785085.5 5265652.5 49675952 42753256 3385841.75 82834400 6959524 4615171.5 14961502 6163222.5 25437446 5266490.5 173566128 5346689.5 58533480 6622731.5 13656458 16319202 193062448 4212414 4337402 9174211 2638921 67837648 2721139 7975093.5 8614033 12870814 9494314 212814784 10714378 4015435.25 80351256 4321824.5 110607920 6610637 29776360 8618340 4933957.5 4876969 3692634.25 33050572 56376324 6504074.5 5345318 11530752 163543168 387736800 4316651.5 13022400 7537479 5384967.5 1808574 192462336 5016597.5 6362845 8932228 63264348 72193032 3933036.25 3979274.75 9525072 5215328.5 13882017 767197.25 9722684 2096640.75 12740549 7379050.5 12872880 51446448 7316797.5 27623386 6417384.5 146563152 103621280 5330860 6053537 7186488.5 32427280 85733224 10649941 43167196 2015380.75 97478792 3347449.5 2927729.25 7894151 193479264 3460830.5 92701304 38038764 3949710 13960254 4530742 1777425.25 144080864 1636502.75 9190930 14553980 4819976 82193912 3218991.25 119037944 1577410.5 5109109 14744762 5958583.5 6292863 34079388 10006469 2373306.75 5504289.5 3158072 3539082 11241104 50713364 1868495.625 139352704 205539632 100898224 4447707.5 96686768 14074803 12181570 3329277 2698631.75 41749764 6983911 17631904 5185868 68848776 1982599.5 731705.0625 4585659.5 102932448 466411584 80482776 8851079 5666212.5 1168714.5 61617416 23745974 241954800 6429620.5 3152255.75 9552203 93608048 6493470.5 1179430.625 8833894 7747038 35461108 83170728 4580952 11294133 41272316 6809670 38876500 43563856 3772588.25 9172608 1325365.875 84231600 4416193 10719038 107272224 9951020 5162717 2291811.75 293008832 8133211 19490576 21292806 12732800 115379128 3173754 2546866.75 1567756.875 8059055 117818568 197174528 14928701 17138044 25161556 3199149.5 4283710 10412141 2950629.25 10676010 3092510 12374767 4651489.5 3984917.75 93822280 5584760 64182032 1367328.5 9870248 2676165.25 27450654 191476400 87800888 26570744 38535036 2227686 63134312 20739002 18935718 3610529.5 9119836 8093017 3783992.75 28715402 18183112 7625309.5 38812104 112773944 30412040 3461819 5255903 29332394 5310614 61961208 8339785.5 3946151.5 2119622.5 4088968 68934512 125567664 10060668 2912261.5 28907292 26847000 5630053 7740481.5 32249046 5985989 6134933.5 2850571 22443090 41415380 26004106 81392496 3533003.5 2258364.75 3443058.5 4106996.5 2526387.75 115410840 21583898 1990289.75 7274680 134097120 2760641.75 13837691 4150556.5 41692716 4584117.5 22116568 4204578 60188852 98322472 55822792 4575990.5 90055624 10277301 4952074.5 10406094 7052137.5 5566614 381081.1563 95450360 12229026 5333384 81332912 1467168.875 17734484 23783546 50810216 4709345.5 11463827 5770130.5 8702438 5408151 9034059 7268050.5 6026542.5 31080976 5146739.5 155695056 185828512 palmitate (16:0) 3283377408 3984882176 7147108864 1678725376 1419570688 1981406976 2465282816 2148954880 943431552 4191831040 1734380672 2981626624 1465387904 3257331200 1332146816 1825756416 1229885696 1679347072 3306914304 2673536768 3267747840 2630399744 1700185856 2695240192 3074562816 1699382912 3397431040 2098052224 2247191808 3087397632 2159621376 3138473216 980107200 2474522880 1596440960 2086006272 2884942336 2198177280 2792263168 2138807680 2424360192 3471959296 2006350464 2597548032 2161362944 1537960832 1464294144 1268939904 1151230720 2868509952 2348160256 1453011968 1903649664 1816642560 1065963776 938891520 4711593472 2640242688 1219534208 2479141888 1647635968 2890747136 4831579648 1521706112 2728947200 2432974592 1776757376 2877291008 4257385984 3155706880 1260430720 2054737280 2252284928 1985136896 1370176128 2370774272 1180269184 1773187712 1422770048 2038715776 3782506752 1764993536 3142312192 1613172224 2770979072 1980578688 3064722176 1521181440 2090840704 2107613824 2557777920 1420658944 3546682624 2807515392 3783675392 3932200704 2062193920 2148015360 3998744832 3471978240 1713073280 2353092608 2801122048 4495910912 2199130880 2697727488 953246080 2103382016 3836402432 1498353280 2690030080 2957380608 3624265984 1597949568 3319026688 3268905728 2245244928 3863868928 1386313344 1892518656 4360790528 5046141952 1550195584 3930102272 3252126464 2026677504 639486080 1464313088 2445538304 3173863936 2380372224 2581376768 2304009984 1047918400 1917581952 4025586944 4337850368 3075155200 1780662144 2704316672 4150908928 1955094656 1290520064 3263383040 1735794944 3196597504 2035978880 1629630336 1792383104 3869345792 3648084224 1274313088 1058344192 1341055232 2328631552 3899676160 1542310784 1152015104 3217927424 3067250432 2291485184 1935004800 528449408 3522296064 2969082624 1153397504 2276107520 2259646464 3497303808 1509040768 1507767552 2761752576 1994651136 2128738176 3223374592 6255918080 1696557952 1478227072 1507258496 3216946688 3257039360 3042330112 3332002304 1904253568 2215734784 1696712064 1103817856 1096653824 1010210944 1776575360 1183353472 907184384 2134670208 3042011392 954901568 2737894144 4192222976 3891938048 1325396224 1585768576 1681623808 2095462272 2224560640 3642352640 2557648896 3766566656 1646021760 3812114432 1259585920 2828198656 2175042304 2185434880 2067734400 1889053184 2667190272 2250080768 3218883328 1736972928 599173568 3090015232 3466768128 1145725824 3871175936 726958720 1438452992 2196541184 2386911232 2511967232 2714130432 2458045696 2800946688 2288747776 3565452032 4173785344 1849258368 3109850112 1960187904 4008322304 2186343936 2205492992 3454516736 3110358528 1664550016 3550508288 1729376896 4000408064 1845355392 2958388480 4259266816 3451803136 4078838528 1244743552 2319315968 1825235456 2982898176 3120318720 4477680640 3109116672 4467019776 2856155904 2344363008 2450496000 1676347520 2620654592 3296323840 1975928960 1862185856 3586060800 2297384448 2407444736 1551317376 2229402880 3059795712 2563579136 2851393024 1492402432 1940069120 4474670592 3159251712 3411827968 3843786752 2697781248 2803887872 2990036224 2996599552 2671225856 1002389184 3986726656 1921899648 1858795648 877559168 2274778112 4176457472 2183882240 2598752512 2062993152 4201865216 2868961024 3218478080 2912709632 1233865856 6244645376 2950533120 2031225856 3419540480 2227075840 2982091008 3171709184 1835227392 1163896320 5570037760 2394814208 2056990720 1663405312 1569574656 2719390720 2810321152 4444925440 2305213184 4252103424 1570588416 2093853824 2375265536 1915031168 2105334528 1343752832 1699106432 3278872576 2137864192 2755999744 1147869696 1077661184 3340294144 1184010496 2526539776 2896832256 2094637952 2451648000 2525647104 2446088192 4057473536 2422478336 1148739200 2766558720 2610488064 3829869568 2908861440 1553785216 2217908992 2156407296 2135613184 3218662144 2361730048 2712824320 3214752512 1939274112 1473746304 2705345280 2070378752 2242906368 1822273536 1929580672 1352681472 1328808448 2103082112 2101195904 1660100736 3062841856 3031675136 3265655808 2330420992 2022452224 2345655040 1711624576 3868306176 3169125632 2114616576 2259385088 2407175680 928746048 5238093824 1529158400 2231925504 1107704064 2519234816 1696557952 2062933120 1733743872 2726007296 2418631680 2050995968 2071452544 3120242688 3096232192 1043818176 2704394752 1868927488 2756298496 1504997376 3034596096 2080650368 2590375424 3153531392 3011226624 2355217152 4742523392 1692758528 2662605056 1439959552 1086658176 2297637888 3470290688 2057221504 2276601088 3249246464 2143611648 2791309056 5314875392 1058672000 3035786752 1918249344 1283333632 1419805184 3951992576 2588811264 2623318528 2945151488 2331930368 1969757952 3066953216 1926065664 971274368 1693732864 2085010816 3609271296 2966707712 2365745664 1283343360 3193686272 2202398720 2715830016 2365606912 2573938688 2942296320 3136220160 2751747072 1907925120 2061887872 3583890944 5275832320 4090972672 4945981440 2718921728 2000481280 4040429568 1304349696 2230257408 1815969152 1716324608 3808017152 2343550976 2571043840 3356327936 5400553472 2809558528 1487877632 3021788160 1834900736 2086678400 2310761984 1539423616 2223869952 2001342848 2738878464 1621153152 738397184 1366419200 3546307072 2800628992 3065650432 3522104320 5177161216 2543723776 2191301632 2284565504 3049251072 1937777920 720180416 1021106304 1551566336 2396260608 6963914240 2015237504 2043015168 3036185088 2050464000 2781981952 2990936832 2088936960 4555215360 1578352512 2153203456 1403142656 980018240 1093510016 3390928640 3316384512 2501018112 1059851072 1677412224 2192198144 1470224000 1493700352 2929154560 895570816 3204644864 1660919936 2548906752 1025942336 2226697216 1396442240 1911056640 1293427200 1831580416 3528510720 2901810176 2168031744 2749962496 2837602048 1012451456 2742919680 1915882624 4040368640 1432768640 2409766656 2890290688 2317479168 683938560 2770824704 2188567552 1308674944 1437080832 1500586240 2481119744 1045267392 1643657472 1106619264 1770756608 1395342592 2048216064 1677250432 1898420736 1383454336 3940386560 1561261952 1951810688 1712248960 1953619200 3631159552 3176322816 3640066048 3177289472 1666473600 1517943680 3098758400 1704540800 2205085952 3692426240 4355140096 1331771136 1322825088 2103392256 3783399168 2481829888 4006665216 1527124224 1589196928 palmitoleate (16:1n7) 326210688 243633968 1579766784 106559264 42402080 146730784 131078888 218117248 44689580 497163840 54083432 146751760 77512832 362436128 116224008 62018572 46571572 94469536 771270848 140809312 609452032 519836608 140058784 377042176 416254912 51312296 441586272 38713704 369327168 153205088 129794704 491567360 106396008 310612000 83115864 56060020 502126240 153432544 265783888 185582416 166141584 417787296 126215528 64655212 179725968 85282320 48045104 40714248 54927272 188830416 233301936 59268548 60362000 41168196 50267128 32301598 448172832 349492704 114727280 329312704 77078368 302610592 947566784 64134592 126984984 253962192 116745280 218784864 700200704 210323264 73500448 90186832 126184320 123854544 45179492 214398368 54472848 105648840 20859290 93173088 209500432 214602304 220589376 80636408 253626512 169592368 281832768 168607008 127813232 92606352 217090672 58387868 228704496 98883488 759703936 818347648 73324792 193594032 750972544 298167040 65504328 169595152 136072768 682489792 201268416 372075968 43901280 194719648 714142528 35558228 202462784 166634480 181255760 83791736 662095936 390112736 93397856 354801248 71367448 58048552 523917824 983926912 157948832 881659712 199499952 214256400 17940340 67753576 254745728 354378368 167479872 78934932 114865792 58814196 87136472 644825280 700046848 540466624 64367792 162850576 777694144 118006168 51600900 390043360 207069952 762301120 198956448 139329136 96585448 255078880 351497088 105231736 65312656 43621300 155354928 1014158592 96187400 37988788 465098752 416206720 137912000 169970992 14463984 464870304 515521184 41552000 270118400 65674168 610662912 81033304 39749520 442297376 68610168 125581496 256563200 337065824 68615000 112069216 171425872 371296480 342129600 331266816 729931392 206397312 112773504 74502640 28900894 29921016 41214976 85096480 27857736 18520916 266129472 498008704 59696704 214952960 356866656 279461760 75524216 26719880 82135416 233206464 150569856 524280128 157538752 411820512 117047016 536885568 194659712 269105248 61013408 170167200 67262144 115375712 152461488 293388672 302577248 85500552 17804136 344796672 342129024 59481328 426403040 26076538 47640344 138381040 230102880 224173360 272063872 87022416 213808576 169166960 376307680 1040931072 45416744 370548800 217048992 458220704 184185424 101417280 386638368 225917344 39898464 328840448 83815216 175959952 117269056 289771776 611911744 842621632 428048096 73029200 149224064 56850444 271533440 716969728 491428064 125135240 836180096 575705664 142523120 72326424 45667560 259866800 377688000 173866320 84969800 691020800 183498736 300279904 60444296 182828512 95186656 177536720 235680592 84723560 62510216 777909632 495328096 259451808 875632000 258186224 330364640 282070304 169894000 158251392 26491558 481370912 122525520 172966800 24604120 220936768 430179968 180458000 62472716 66306552 712898240 143342496 449615200 125777160 52500228 715241984 217795024 268904736 449971456 146203360 198692752 465976704 80961600 41312508 634950208 281656352 115870112 99578048 181882544 214945728 234338432 240357472 85930016 963109632 75676976 68006912 277635488 56146780 221218992 101471080 89183576 143140928 204594592 303844128 18573538 38700464 99501592 82676448 378657952 274258400 150358000 237330032 137774304 174221952 463569568 40250324 47455796 167387808 310771584 356611904 149486224 78641448 131119056 118415672 199276704 463104032 234574128 172178288 134575312 45053008 66769212 259951744 97840768 223896192 36995744 86257000 53288836 36304040 130315648 53712536 167644832 267972736 99321424 375514848 177935600 132272368 137119936 41002728 424374560 84196616 32948580 217389152 300906144 23484432 961031936 37157860 117317048 57584368 229712592 258792000 70801552 53551892 237381552 208832560 246208912 166781776 361950784 395016032 35668012 132688280 202785472 357542208 94798696 340087040 243229248 84594328 229373024 326844864 49916204 166984912 46903304 59808136 48473756 30280380 300029248 929733056 156545472 102192744 465249152 149582032 273980544 1001401792 96566088 264030960 42502436 44711392 38476812 389570752 237455968 200502544 397381088 116447848 55071784 250356272 50887744 72862888 71184840 267460512 523571328 331295808 159391584 56519984 272549952 142908832 459801696 134991584 225587824 483305600 311795392 312949760 339119264 47282084 556982720 403383168 648460416 979514112 277634976 170047024 628712576 34111852 187165344 149222896 63395180 491374368 181385600 293509696 509400544 635466304 105037520 47563812 201657024 43128584 127155992 92135376 31991004 77479024 154227696 67285616 43001040 34698724 48882458 366289856 408165760 251160544 111423360 576265344 165275024 137742896 184130992 316688768 86359480 16750242 36540288 27030014 560572224 1248150656 68879736 308027136 407049696 86919616 194207904 271473632 86392352 1043921152 60302692 47327752 56110012 22122252 156927424 323907776 221031136 329821120 24737508 216377104 218013056 62362948 68420984 482821856 19628880 386242432 49099324 577313280 20707952 266936256 163487856 82456720 56787504 163921776 397199680 97379600 132764912 189296400 421352384 54975280 243745792 173665888 464887328 99655112 293915232 127614248 171292640 22941536 296681984 205996016 29562520 30561360 29120938 249597808 23212444 52694664 37210928 128590712 62169180 158087216 49929428 72593704 93371416 458123168 42376728 126955016 134373408 193160016 469143552 497316064 265224240 186658304 51176924 69667176 187426432 187177632 253053184 580210368 788562496 34502488 45983172 95686672 277756992 172891728 537579200 65579364 57707152 pantothenate 6784877 11636743 7436610 8830730 13032721 6420384.5 5521205.5 5330380 5680606 11685085 7953781.5 11828301 9394292 7674557.5 5183083.5 7530569.5 7998158 7332288 3452185.75 7125858 8666795 16094892 7730779.5 8173257 9660078 5816406.5 6114289 10996337 3744339.75 13397582 5853619 5121139.5 13401544 7358378.5 5519583 9472516 7271345 6441839 9961415 7999384 14888914 7537532 7817343.5 7299507.5 5742948 6423963 6102584 4772760.5 5011997.5 10605914 7331338.5 8043100.5 11107049 7526593.5 13988636 4877638 12130649 7164288.5 5265771.5 6429876.5 6105858.5 8564295 11873233 2506156.25 10440670 8011830 6729988.5 8126242.5 8774775 2548782.5 6009850.5 6284989 10249794 8640506 7288190.5 8824717 10436677 7095456.5 9948991 7450205 5742320.5 6103783 9828973 7841884.5 8381923.5 5570968 7278997 6739706.5 6355579 7329368.5 14105388 7552932.5 9863282 7890616 8292771 6687866 11305465 7454315.5 9041090 6001811 7958694 9245502 11417073 10701396 8199101.5 18504070 7206358.5 7394800.5 6322204.5 7512496 6156142.5 13312763 9854117 6115084 5677966.5 6283759.5 7823627 11078280 9767908 7626705 10742586 13120669 8959803 6052088 12990832 6844368 4779715 7661572.5 11284775 8338574.5 10668124 7391143.75 5655739 7817630.5 6869677 10663133 8956614 5807266.5 8683759 7448234 7858620 6675037 7525459.5 8290551.5 8306375.5 5543789 3549659.5 9039039 7788588 9001237 5969558 13674140 3599354.25 8256549.5 7866320.5 5968609.5 12584703 6278324.5 7910753.5 4444719 8652019 5342287.5 2821505.5 8821015 6176752 8154456 7630637 11392651 9598850 9945342 12187345 6378215 10948023 4037941.25 10769529 12943325 9230995 6030954.5 7798836 4879324.5 10949606 5049638.5 6837083 9759835 6320048 9772668 10002239 6577444 4881624 6642062.5 10665715 8461616 4875338 7339924.5 6340984 12407831 10470315 10422848 8479714 11227437 5357080.5 6343776.5 11404235 9115953 11080351 9321693 8543689 7393012 7125821 4878481 16748226 5901527.5 9710019 4882363.5 11396315 5540671.5 6537027 12968944 3249404.75 8062551.5 4279445.5 12638490 3356539.75 5204648.5 12150119 6728160.5 4607424 6924634.5 5614157.5 9313003 5448744 5174763.5 6362997.5 8675803 9588736 6783696 4442762 3775929.5 6310058 5611061.5 5492641 11095680 8680934 8887895 8335788 10495091 12203595 9254761 5528795.5 8886565 14792371 6004677.5 5877797 8437894 7473019.5 6482195 6901711.5 13165347 6255365 8258906.5 10538603 10723017 9216188 6108598.5 12157802 5761026 10902902 12157523 7875142 5984073.5 11784365 4839314 11695277 10985442 16525373 5249674.5 9063453 15443031 10390003 11006718 8423297 5070322 9467162 7408996 15144676 5366076 7806373 11363632 9517453 7489997.5 4002394.75 5834018 10533282 7394800 10791065 11131328 7341423 11348367 6176519.5 14770040 8189217 11653865 10499583 11889574 9624651 8493772 10072360 3882177.25 6411584.5 11014142 8199685.5 8384091.5 9251909 7270853.5 10211736 5917916 8345256 12425399 8856756 10633146 15251633 8907633 5229119.5 9911495 4747752 4309808.5 5168191 12017787 7028796.5 5442855.5 9876644 8901126 9405563 8106580.5 6471724 8371353 5092191 5009210 7757546 9900920 6380660.5 11842078 4917648 9610291 8592841 6630048.5 11940143 9185178 11474031 7125175 9614185 5083875.5 10734951 10073965 6652346 7839292.5 7724079 8976857 7653401.5 5545987.5 10862216 6991259 5024625 5393848.5 6460408.5 9382574 7785211 6954401.5 11939494 9141843 6278892 6405843.5 9493698 9359591 9426375 10845048 12154701 7401307 8025464.5 5583773 10776937 13487451 8689959 7390422 6723853.5 8449973 10947096 6069453 6396007 7885046.5 9674250 5944546.5 6232881.5 11031223 8974387 7996791 10025161 7798615.5 9615107 8983396 3884054 9716243 9495712 7078740 11220093 13526610 10789413 11692135 8920536 6700396.5 6530871.5 11888826 12535857 9318156 9721677 13942507 10420744 8401847 7418880 6864261.5 8314673 4878481 10163125 7070384 7426679.5 6895793.5 14570473 5302947.5 10198376 5489699 8509358 7278274.5 5782113.5 10701247 6878726 13794401 7145242 8790881 7577297.5 9935456 6155852 11249094 5672787.5 8567023 7995103.5 7228587.5 4335368 8410430 5557007 10500347 12573497 5451034 8816013 7169643.5 13310102 12473804 14271358 11340209 11344200 5019226.5 10833053 8131490.5 7013565.5 8834234 10623333 6572808 6977233.5 7201583.5 5694223.5 10815888 8351117 9234272 6644862.5 10440869 10765337 4880655 8741507 5799738 9082218 5349465.5 18190176 7153154.5 7510212.5 5389199 5672008 10408097 10066560 7709562.5 11992404 11072807 12539564 7272610.5 9139215 3318864.75 7912884.5 9001674 6157500.5 9567808 6999392.5 4753182 6272814 7599039 2406269.75 9855761 2606989.75 7653992.5 4960875.5 5712620.5 7545345.5 7643418.5 8493475 6550786.5 10304765 7608891.5 11200497 6752242 8675396 6296972 7555981 7020264 5064599 6569158.5 8400131 6719462.5 5471318.5 10073636 8614684 6217248 7850190.5 10457258 12249496 5282202.5 6477126 4872795 7372855 13226075 10300873 4573762.5 8102290 7316248.5 11904278 9936243 11606245 6790207.5 8646361 10448527 7175420.5 5131493.5 6210706 5619326 7175655 11426623 5910848 12238776 7696992 4622751 4620451.5 6692147 5973472.5 7792429.5 6688802.5 11599924 6099590.5 12797400 10298174 6816292.5 7925694.5 5894583 12197164 8348815.5 6143528 7307395.5 9015791 7119463.5 8285974 6977840 13080804 pentadecanoate (15:0) 37765204 42037808 176494144 24850282 20897716 24340242 49036484 33427390 19120122 24600154 21237528 27404978 20949940 56273972 27721526 25821474 16509914 28043116 55327304 37986412 39733132 37354296 30403698 37346372 39922312 21517636 48474844 21568586 34370688 48089352 39443628 41777080 17399112 33746876 20629124 21639952 42462540 32662244 36829020 29087774 20269150 48035128 20764958 27276436 27258220 21152074 27707024 27484202 19097964 28722630 32233410 16435448 20407460 21105218 19095656 28169432 42554504 31108736 21285964 29701242 27366002 35088760 73746144 33317162 27076780 41715724 29217572 44963620 47237660 74334056 25291920 22345202 30515756 27553772 21969548 35643612 16249208 27640932 19308174 39120736 49559408 26418096 40937356 26316072 43471900 24011310 42685024 26860832 29818462 32590066 21941410 21006702 69353824 26204012 58790176 53483316 17551950 32994268 50845864 62940128 34090232 33616056 28909872 76733176 47673876 38097744 12595057 32500194 73753416 20114032 43886440 22916374 28391268 31496742 52509496 56232356 26105598 62568508 18797870 20843370 50138556 92184016 22678902 49873204 27427186 34741940 22066826 20402888 30412586 45891136 31857070 22825012 35809764 17881564 35234036 57290020 50383976 42082948 23446110 40079032 70940304 29623554 19880842 46815832 23865814 56511392 25730920 23280480 21529510 52059256 62832396 24583510 17096666 17674198 38301488 62773292 16951030 21413670 47828160 57170724 31903134 29928238 13939446 51120284 39875408 24622670 28607818 22698848 59867196 18412678 17607502 32689944 24102566 37181008 37510972 96371960 22091554 28366564 25728894 46779536 59385876 40381952 46498296 31204446 26886076 17364528 16660301 17549512 24910870 29609896 20225048 15543898 32105962 64481100 21540718 28232950 45683232 30878344 25283224 19697770 30103660 35299356 23707528 49993780 24728984 48995384 21078240 64238940 18959136 47910764 21911284 37487768 21614300 36355764 39960640 30801464 40129380 19976632 19264186 39160296 70226024 19286710 68435792 24088704 19710046 25791338 31499674 29336888 38614004 22245702 36985488 37186984 46526812 64012232 19889190 50398684 29881002 46916160 33492092 37107060 32797636 44842324 19317398 44704724 18772910 45294868 21999452 43580172 69669824 44693736 50476316 22848398 47606280 24205286 43995260 44723816 76702184 37828368 57380676 35141916 25041474 42174412 18405742 44022980 38567560 29330752 26580102 38836052 24796406 28618010 23601700 41162040 23151540 22143718 17018242 29612990 18242398 72996000 44019744 43470248 51302220 31465428 53266464 37607320 27351316 42745592 17198628 68082448 18770398 26446034 19121914 33854708 61731652 17371012 21234932 18550138 58644400 23902510 41416912 24752326 16611235 62406412 38546340 24064048 37345768 27260032 35653880 49049608 23786046 15722554 92322736 32674214 24012274 28503108 23996930 32772708 25651856 39610076 25002048 55862716 20541806 24332964 28589202 21483646 28388614 17056510 32915190 27601088 28473934 31147526 16604733 19377088 34163592 23798908 37360968 46648060 32448246 31544508 32843660 24975802 61753212 21953794 18487528 24473166 31297706 44629468 26884778 22713548 26742566 30918226 21503760 42767172 29258320 28845682 31525996 20894826 17305254 31719498 27022374 49605400 17752630 20970878 20199836 27313494 31076532 22059048 34017780 28571384 23761870 23951956 32822858 32907036 61531076 22885498 61301808 31114412 21074184 27722300 21842376 21034382 64460892 21463626 23399776 15261603 30064984 18187512 27637280 30458442 53344740 28974698 37332872 28848366 46567488 27317466 13798624 44387260 18413542 40086792 21775530 35923364 28219412 26377310 51004892 28793136 22647256 34419660 22070190 25029884 16642867 14525882 31396302 45583512 30400868 42308452 32038260 30675626 42872976 87469120 15820644 45758756 24064704 15011698 17527620 68513064 31715756 29099088 53038932 30038036 21135356 41507868 22109800 23346616 22857174 32388788 60803972 51230820 34613020 26666364 36979324 28278474 38251664 23017398 41268612 46595520 48680260 39360704 26835818 20968160 47877764 44675428 26089718 55708740 33378854 27429110 61590228 15922105 25705964 22204334 22436084 56372916 24393598 38022680 38314632 89784696 24382344 24851598 43831740 19833086 34129256 23043580 23722994 24563884 28364950 29283458 23117818 14436632 20919584 41815772 33532216 31533380 30373848 81990536 29772456 38166884 39042424 39928508 21318614 15965643 14477881 22633422 31732696 122700720 22841442 27351316 52191536 24156546 33921808 36720328 21555924 78297048 19764392 44554084 32363596 17817024 19208956 78153792 68968664 46030728 14848688 27110794 31686446 25074482 15359686 35050688 15661140 51380196 29016110 33372056 16099335 22921778 24934552 32124808 20816334 21753144 57397156 41991040 22960798 30533578 25083572 15444271 32443526 28170472 63656688 19501874 34655660 41081872 31803748 14124706 31927602 26087648 16933190 19989024 20220782 36224920 19299954 22838770 13764429 32507174 19495130 30276736 19072672 25106818 30473476 39251696 19395632 28336178 32825330 31001090 52172700 39351888 60661736 54984216 23388016 21023998 39098148 25164944 36202104 55083612 57968712 15172167 25417724 32325800 72701632 38266820 50987900 17094680 19480504 perfluorooctanesulfonic acid (PFOS) 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1321028.625 3116198 1324351.625 923354.3125 1971591.875 1394883.25 1824143.5 928427.875 2455488.75 606835.75 4722312.5 2080632.5 2250296.75 1491006.625 2643175 1653013.375 3034977.25 785963.0625 1094305.125 1728472.625 665599.0625 2904034.5 1339992 1345793.375 774805.0625 2724400.25 1312572.125 1069025.5 402306.0938 822408.75 1018403.25 2241975.25 2198198.75 4355753.5 1195360.75 518391.1563 1068533.75 4951268 910022.9375 2068997 2074408.625 735655.25 913052.25 841752.5 3203599.5 760549 2163074.75 4282458.5 3011152.75 5727213 947303.5625 2787698.75 2708453 2092501 4853987.5 2411628.75 1434275.625 1215622.25 1653232.625 3313267.25 3051378 2020859 2158409.75 3914696.75 1148213.5 2433152.75 3459666.75 741960.1875 1570602.5 1113737.5 1068017.75 4244917 2321882.25 2426478.5 2307805.25 1908794.5 2028281.75 2209510 2323273.25 1504790.25 2220077.5 4291191.5 3615393 1808970.75 4300940.5 1151558.5 3838181.5 3099929.25 3562164 1651263.375 4183366.5 1262323.5 1751363.25 2762125.5 1164025 2650486 3941082.25 963428.5625 1600907.625 1935079.75 508602.6563 1019871.063 1745579.875 4312391.5 1832753.875 3076209.25 2279573.75 2990758 2649547.5 2382620.75 3590420.5 1637945.875 956173.125 3441400 3037097.75 734196.875 2979223 2851313.25 3427802.5 4595019.5 1554759 1571612.5 1137814.125 1003461.938 885306.0625 2982120 1772659 1240604.125 3989104.75 2596637.5 3152428.75 2331438 1999061.875 2619864.5 3224212.5 1565135.625 1492311.25 4538129 753172.3125 3276903 2099304.25 1108841 2893164.5 2230320 1495731.5 2405224.5 2695090 4319462.5 2169679 1679853.125 1878275 1983025.375 1449662.25 1286464.5 4612995.5 1431825.25 3056561 788012.6875 1229111.125 3426602.75 3467002.5 1884095.5 2346230 4157254 834395.125 1862965.25 1759058.5 1559476.125 3093028 2067384.5 1449789.25 3898133.5 711243.1875 3157543.25 975105.3125 913427.25 1613320.125 1067207 1410602.625 1885191.125 3156148.5 2603004.75 2475368 2882835.5 1125915.375 715759 1429697.375 620100.3125 1968315.75 1008892.75 3810843.75 3344711.25 2508910.25 1293018.25 2353995 1370642.375 3512564.75 745226.6875 915580.5 1042531.938 2969112.5 881920.8125 977573.9375 4980395.5 658131.625 2388622.75 1259294 2446500.5 1403871.625 2768280.25 3697405.5 1507925.125 889441.125 796743.9375 2579712 2319886 1031562.5 2583818 2132164.25 4911333.5 976572.0625 1077099.625 2066362.625 542237.625 898927.8125 2255856.25 1355541.5 1098788.75 3144733 1030886.688 3932673.5 3649298.75 1228469.625 942355.75 2753303.5 592575.8125 1943417.75 5400267.5 928086.1875 506923.125 1687256.5 877871.4375 2819459 2734106 1459226.375 3472598.5 816186.375 2456718.5 1885533.875 1626910.75 1451582 3034069.25 3338596.75 1914539.5 4258163 1386204.5 1661824.375 1627592.375 2039577 2175720.75 2173599.5 3328833.75 705457.625 1401701.25 1034734.563 1876363.25 1421041.875 1932836 975962.3125 1053182.25 1842482.625 698589 925277.375 2723065.75 3056005 2711661.5 3989390 2821148.25 2035845.75 3304346.75 480332.25 746381.25 1987753.375 1019071.688 1447329.875 3090154.25 1445472.125 1893638.875 1981056.625 7346609.5 2149436 928732.125 1466442.625 808849.3125 622411.0625 3344841.25 1387982.625 1763039.375 1064134.25 2791882.25 1905246.625 5972442.5 1690685.25 2493049.25 1192223.75 2515769.5 3423807.25 2348803 1978976 1243844.75 3256465 1092114.5 2838731.25 2082681.25 1141301.375 2240979.5 3222613 1551014.875 1402842.75 1353665.875 1629003.25 1684819.5 3172403.75 948361.6875 1492986 2971161.75 1504761.25 4611444 2717332.5 4167567.25 1701870.125 2525424.25 1335048.25 2275851 588513.5 2753249 1868670 2614677.25 3584698.75 1050202.75 2580958.5 2554791.75 727582.125 1754797.375 1551220.625 716409.5625 2539080.25 1285632.5 753722.5 4127656.25 2171526.75 3127585.25 884749.375 2482128.25 1327785.625 1153812.125 3305338 1811067.5 1595812.875 628812.6875 606499.25 1319775.875 1297433.75 3061101 pyruvate 21679382 16458643 15584353 16181538 13804938 15131133 10168569 7622733 11819527 11804566 11715360 15530895 8267293.5 19053238 12323011 11025926 16245798 7831394 12572903 10804905 12136202 9310912 14175571 4238518.5 8115140 11125256 9215787 10262305 7646245.5 27693756 8016231.5 13736592 9611257 14143564 15996277 13085988 14000861 15795410 18721884 16597593 10834455 15877750 12284349 12205470 8774170 8740154 8624521 17817478 9741643 9200590 10453801 14488709 16924538 13864805 9727867 16766866 19097142 13184459 11872066 12994177 10861540 14899367 8959347 12953921 12579646 14368365 12358252 11905574 10323776 14173643 11711939 14208303 13363499 13937469 17330234 13387958 14544136 19014202 13398937 15765902 14816498 14073700 12701372 15950409 15695578 16366157 13375754 13047461 17553652 10954592 15641584 13511840 12629210 12897452 15510621 21319016 13495120 14069400 12817648 18065294 14246089 16850530 13093922 14739035 14824245 14585347 13765264 8879832 15638939 19013174 13572215 11904441 11439127 19094598 15768328 15821607 19702504 12366141 13151072 14964043 13983814 13602538 14359685 8817019 15062773 15864395 15255859 11361229 11830979 13228982 13348953 16822020 15552837 13681724 10376775 15903266 12086150 16913964 16652593 11303555 13472913 13848492 12138300 14061742 11242849 16358684 15153239 17698298 13044276 14199757 17526662 15687246 11490622 13302080 24218078 12800666 12033024 16698983 14374179 16129405 16399437 12184988 15141569 18767532 12497957 17579696 12257600 10249959 16755039 12763677 13951617 15689861 15140077 12371838 19238904 31264014 14971228 15488083 17966670 12246090 18080378 11430726 13288022 15518273 15298941 14181702 10725180 12952920 18350868 16388070 19069874 15022101 14401560 10166172 14775217 11298122 11760844 18116058 14287700 9562435 17470218 14277099 14423903 12747996 9470593 21773646 19434776 11164158 14831858 15210646 15836113 14036441 14755468 15960011 15925187 11021509 15762155 16985292 13466073 11283623 8074791 16823468 14885061 14882064 16710292 14593589 12540456 13487054 14528333 11582155 11186412 11832628 10496841 13578793 10713396 13324437 11898372 10873090 12173969 17438626 11639302 6940333.5 17841076 16329214 16493291 13837332 12341052 15468528 18806722 17792538 13701939 7983836.5 20678754 18229446 17755858 12833959 20166422 20516622 17036666 17511792 16023598 15492335 19344480 14264771 13693813 24876496 18285862 16432999 13823945 14876854 15185660 11468469 23922918 19675856 15184271 15292449 16545217 29215064 19236182 16747332 23107060 15796204 19209412 14473670 17892870 18702446 15609428 18823288 14786390 16292791 15290449 23429402 26005014 15615955 12216879 23787712 22644962 14278573 13145567 21002204 13774419 19345692 15602561 18994494 18510722 17374082 17823742 10801804 15405001 17673056 21733530 23808452 19346474 18580638 14416857 11450806 19076488 15343207 20537736 21453128 14356491 17890602 15402852 18491610 19683540 11484018 18114952 15699046 11568806 12121020 16183515 17064948 11884216 17195432 14280290 14280318 14678466 15318034 10939522 15116922 16951148 14980623 11964783 17592750 11767485 13772872 13101985 15812623 14116431 11274456 8106027.5 10367787 13195644 17049686 16522032 12871723 11897448 11004515 12020203 13665831 15855288 16354301 4506691 7808751 20595166 12411567 11539725 12898296 24821664 20707712 15839249 14748256 22999638 13185616 15885474 15041358 19349356 11504631 13992261 17488144 15142129 14185830 14702489 19737102 11836596 20243560 13525178 17263306 22785778 17048486 10134143 16749317 14687995 12353764 17390598 13203693 18225648 15390279 16649602 18094292 16817054 16759070 16265934 16839000 14209105 16095408 17578410 12016128 9129613 16288275 18598982 20886116 23803588 15944828 22006452 18864182 14170698 18744548 13153427 12628731 20421426 16699476 15866923 19013880 16219815 17751392 18028406 12103079 15635153 13763118 13834453 18465828 15560784 24573020 18812824 17243830 14198582 25762496 11226733 21072252 18335876 17823206 9486603 19241528 14727266 17178992 13771849 15676502 13091189 14919558 14643985 15858728 13584947 17926022 28579532 17583382 19224136 19743418 12381486 15865108 10457675 17608386 15778822 14060275 14912123 18611674 19135380 15102103 13009709 14798053 16633702 18330464 33450608 17874330 13440993 17612906 18712291 11671960 15092661 14453736 15395357 22959988 12676863 15028021 19136828 24308490 11091374 13651573 20259090 11260273 16726972 21542744 18312208 12500310 13767749 14178570 23080822 13777367 15995831 16487390 16237631 13827609 12677828 15108395 17115640 16405161 18692416 14018694 13919365 15778822 13384060 8796629 13574912 11389925 21405698 19550828 18992212 17483406 15781896 15390347 16049458 6842940.5 17314636 12462900 17252692 13425073 14862234 15918959 11596130 14560740 28260856 11963743 13307610 11877531 15129935 19292458 12027351 15883425 20748028 16988198 15951410 15303471 15597871 20821842 16157855 20626022 13102060 12749431 11584900 13905006 17800784 22119982 13463077 18784324 19854300 16284088 14229078 10812513 20088986 14326198 24735732 19784654 15846156 21633746 19938908 10123139 20604210 22242212 17518522 15412867 17889788 15635540 16782758 13259522 9587800 11517682 15761682 S-adenosylhomocysteine (SAH) 78460.2578 91650.7422 46195.3594 70658.9688 68713.7266 53886.793 66435.0469 47358.0898 39108.1211 61537.3438 55967.3203 69977.9453 82482.0781 67153.0234 56341.1641 58508.0898 58635.2383 59357.75 50272.1094 91906.1953 43762.5977 63084.4805 49941.5469 50430.4453 0 63268.8867 69382.0313 68655.5313 41760.2461 59384.7148 0 53281.5742 0 62713.3945 66181.2656 66009.7969 81674.3125 48620.8086 53104.8789 74898.8672 60149.6016 52291.8242 74863.875 91628.625 37860.8398 36091.8789 48142.8359 54010.918 65240.7539 67071 54122.9492 80847.125 76387.3828 56752.2422 72832.4922 85693.375 82446.3984 64999.2773 59162.2617 77129.5234 0 64114.4375 0 78417.7188 48620.7461 70287.5 65219.125 105024.0547 75189.6484 57222.8633 87659.8672 78534.1484 69305.1406 73505.4922 78736.2969 54087.2461 83277.5313 53215.9531 72234.9141 47122.8242 71888.2813 52588.7148 66871.9688 56438.3047 71631.0313 0 51145.5195 37845.4336 80209.2266 61405.2969 64213.6367 64574.0234 48635.1797 74113.7266 59628.9141 69318.3984 63162.9375 74907.8906 22243.5977 49664.8242 53445.9375 50661.7344 101154.9766 58546.9805 65621.0703 43918.0313 49352.793 68317.1953 49097.3281 53338.2383 61743.3789 69149.4375 85917.5156 57626.1953 73996.0703 66152.0781 61963.6094 39690.7969 87326.9141 81664.6641 40196.9023 68411.75 81938.9219 78578.5 66067.3594 53248.6914 75930.1563 44949.668 43199.6016 91431.7031 47917.3281 60207.18165 65016.875 54664.9844 53168.0234 90577.5859 0 54351.7344 47234.7695 77542.5156 67327.5781 58658.8281 68765.7031 79256.9688 81134.5547 46035.2461 43717.2969 76338.7578 104042.6641 60008.7109 49641.7539 52268.0703 46576.207 57577.0391 75191.5547 53133.2617 45045.9102 40563.5977 40682.1367 49363.875 66352.6563 63032.625 59093.1719 47759.1953 65965.6172 59808.875 58402.4453 76062.2813 70872.6875 61619.4492 56292.4766 47273.9961 63897.8203 74668.8672 40911.0195 84829.0469 43173.6094 62379.3398 50836.7656 61357.4297 61904.7188 48917.5117 48958.1484 56408.3672 51978.4766 69783.0547 46622.6563 45728.0547 95804.6797 66435.3594 43980.0195 42189.2031 42478.3047 48687.0664 77318.5859 38115.5977 56875.6953 64174.582 54177.9727 81805.0313 51749.4531 47089.7656 56690.9492 45062.3164 33922.0898 42053.1992 56836.1367 0 50984.9805 43735.1367 76914.2969 0 49771.7656 29682.7305 42659.4141 39893.7773 37201.9648 56437.5391 70239.4609 51480.1914 61001.75 40283.3711 37675.9883 58290.3828 53539.2461 78718.7656 58463.3672 86082.8516 75091.1172 59255.168 63132.3594 39715.1172 66566.1094 70936.7031 47273.9609 65010.3867 75486.5859 59806.5664 51412.9883 78306.6563 81748.4922 56720.3594 83040.75 0 71722.9453 93459.4609 97205.2813 61182.1875 109781.7266 68630.6172 58293.2422 62157.6797 82738.3594 26431.1465 45291.2266 64258.5 62242.6484 131345.0625 69483.4141 80989.8672 69823.9531 118976.4063 81436.7891 81658.2344 60548.9609 96699.4453 95700.4688 85426.9297 57137.8008 61975.3984 72908.0234 74609.4297 106489.4141 94879 53892.1719 61135.7539 72507.7813 68761.5156 85799.5391 95402.4063 92177.7188 57055.9336 74272.1641 75156.7734 142292.2969 85286.0156 46021.8047 111228.6797 53439.5977 83487.4375 79247.2891 62060.7656 95432.7813 94480.2266 83684.5 119395.5625 71017.2734 128653.875 52080.2188 111175.2969 71570.6641 104489.3281 87683.9922 101918.0156 80067.2891 83302.2813 97007.6484 44598.3789 69935.5 110855.8594 73308.9375 69953.8828 81178.5938 55697.4258 51060.2617 48097.5313 47699.8359 66570.5859 76600.7734 72735.2656 46481.2461 63966.1953 47276.4648 73409.4297 63983.2188 36896.6992 57054.1953 57976.7578 32983.4688 61264.5352 76812.4063 40553.1016 52857.2461 71373.7266 35675.625 47349.1602 0 38797.4688 87766.8984 68715.0703 56426.1523 70392.4531 45550.7969 43310.1992 41169.25 48895.0781 59321.457 51483.4766 47753.3594 78713.3828 32062.9043 51428.8984 52364.2891 46231.2695 44002.8828 47244.9844 52191.5117 39130.0039 60713.7773 56202.0664 72452.7969 37535.8359 46735.5078 43600.5938 92305.6016 51582.9609 65045.9336 89769.0938 55268.5859 57356.3633 44710.1094 56268.625 74024.4375 64161.2656 39902.9336 51704.2148 88937.75 73625.2109 53027.9531 45682.2656 60166.6914 69041.3438 49178.3945 48731.9648 44512.5039 77789.8672 58854.1094 38996.5742 70658.9688 62573.9297 47783.9102 60557.8359 46695.9453 52607.7227 56709.75 57062.9609 73983.7813 53850.2344 46330.4883 77018.2031 65092.582 60593.9688 62727.3789 61688.082 84131.0234 57356.0508 63804.3867 77203.0703 52527.75 43851.8633 60260.625 42407.4063 81080.8516 67786.1563 56790.3438 55437.043 54631.4648 57823.5547 73296.7422 59886.6523 42266.6563 72738.8984 61753.332 91641.9766 47865.5352 57031.3398 53749.8203 58564.9805 53614.1094 52475.4766 58487.6719 56203.0469 62980.1484 83399.8047 56121.0898 77393.7656 40843.7188 78906.4844 39232.9961 46812.0586 60877.0547 68241.9063 57469.1641 80858.5234 83642.3984 51872.5078 40093.1016 72254.8047 44920.1797 39613.0391 52683.043 59767.7852 48486.6797 66072.25 60296.8906 67447.3438 66696.7891 61649.8281 70265.2109 40302.8125 73228.0156 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152550.5469 287070.0313 319419.375 200606.6875 174857.0313 259781.0625 333423.625 324291.4375 240073.0938 182551.3906 170171.2813 336646.1875 155475.125 264932.4688 288897.2188 243651.0781 350446.8438 180449.5 201872.4063 360647.3125 193034.1719 276905.4063 283401.0938 259330.6094 195973.5938 272933.375 169123.8281 143150.0625 189065.6406 254813.9844 224948.6094 250848.0781 345282.2188 158824.5469 229254.7501 239495.3438 145571.1094 176571.625 260973.4844 129176.9609 204780.5 190975.0156 161709.4219 281160.875 189079.5156 156819.3125 178429.9063 172102.2969 210053.2344 227029.875 215874.125 144834.75 262112.2344 251691.6563 327998.875 214838 246167.6094 246198.1406 95446.9297 116189.8281 131385.5625 195471.0313 264151.6563 163390.0156 139061 286845.125 221576.6719 171762.8438 193342.8594 209041.5938 198273.2813 231417.75 232193.0625 235874.2656 325832.2813 176263.8438 163909.7188 291858.1563 211050.4688 250425.9844 270011.3438 221085.7656 172578.8594 221799.8281 224205.0781 184010.9063 161364.5156 253052.7813 244743.8125 309463.125 273291.1875 85230.4063 189915.4375 245109.0625 273901.3125 207124.9219 287440.5625 191471.3594 201496.1719 259828 332134.4375 318760.9375 160307.8594 321388.9375 307131.9063 127593 290874.5938 240447.1719 305930.6875 235102.1406 302684.5313 200984.3438 200982.5156 183656.6563 157484.6563 217457.0938 206667.2188 234174.5781 338831.4063 256979.0156 257280.8281 231484.25 316973.7813 118010.25 385689.1875 136125.0313 239485.1406 193565 183827.8906 239940.2813 180449.5 195978.0938 183818.6094 180005.2031 211882.25 xanthurenate 80101.5234 75131.8672 43654.832 97616.5469 57281.418 34440.0586 35868.5703 0 57644.3516 30416.5176 72319.875 91375.5469 38510.3711 0 33816.3164 22148.1348 99801.2969 45769.3672 0 56312.1602 0 33371.5195 75253.9297 27742.5254 13627.6895 17430.4238 0 0 13398.2959 35235.4023 0 36079.8281 19993.1367 0 57207.9375 0 0 0 35049.9961 0 43488.5664 43040.5664 34092.9727 71364.5781 0 0 0 128204.4688 60551.8047 22325.5781 42309.9648 102968.3125 66293.0391 134636.7344 0 138360.0156 187595.8125 21557.2344 0 56983.5703 59586.4297 0 0 93016.5469 28536.6699 51822.3203 52956.6602 0 0 0 119628.7969 56409.0977 0 28110.498 56181 0 0 98736.5 78773.6953 0 47268.8555 19024.0898 0 0 0 13431.4072 0 32369.8887 0 27155.3184 0 26511.248 39950.2227 49390.5742 0 0 101823.5625 21116.2969 0 0 58999.6836 0 161927.3906 32859.4961 51955.1211 0 0 25539.3457 0 90711.5469 43037.3398 108726.3281 39502.5508 0 52677.6367 47518.9805 84876.4453 59500.8516 30984.4727 110930.4297 15594.832 0 0 22329.5625 62477.4922 0 137290.5938 26271.207 0 105215.2656 38077.7969 30547.6074 0 43959.4023 36623.1055 38544.9883 0 0 44106.4414 0 0 66745.4688 48485.4961 44330.5195 122072.0469 0 28891.791 72091.0625 58181.1328 58604.0469 27062.3418 58361.0703 33827.3008 68560.5547 46135.9609 23717.3867 0 0 0 0 0 58860.5078 84646.5703 18533.2266 38090.5625 0 40214.6016 0 46853.8906 93830.3438 81125.5625 31692.1895 76190.6172 32028.3438 17596.7539 56181 73220.6016 38260.1953 0 54755.0117 41939.4922 0 0 0 73384.0313 60019.0273 0 27908.6465 152245.2969 0 58972.3867 43693.9727 0 0 28495.8906 44242.1289 87797.4922 82685.9922 36393.8867 89134.5703 29588.2637 18222.4805 101124.5625 40924.8672 0 46299.8047 0 0 0 45658.1328 43814.3555 0 62018.6875 0 69522.8047 0 0 55755.8555 163284.9844 32246.6211 27568.7383 30466.6465 0 159689.8906 23340.0215 0 30355.2188 40208.7383 0 0 24565.5254 0 52117.9063 41247.9414 58825.0977 50478.7109 51116.1719 20723.1699 0 53456.4141 27931.8887 0 81752.7656 33906.1758 45343.4258 58398.1953 52093.1797 21174.1602 47606.9063 42304.8203 52804.3086 27353.1953 60700.9648 54716.6602 0 0 69821.1328 58794.0703 0 67821.7891 0 47851.7734 87933.9609 56010.0313 19679.7969 0 82971.7031 31943.4961 91858.0547 0 38645.6133 142369.2188 82070.1953 91236.8516 103621.0859 19220.3438 96303.2188 28788.8633 0 46272.9531 33027.1836 54985.4102 0 23231.9082 0 44777.7266 59961.1602 82306.7969 0 0 343096.1563 0 50931.9648 73806.9531 49992.418 59508.7266 19173.1836 0 0 64535.6758 39905.375 0 37636.5586 36745.8516 0 0 23611.6074 18840.6563 0 85452.3438 63354.1328 23980.5488 111472.0938 48790.6133 0 0 35983.668 39981.4844 75517.0313 0 0 54553.1602 0 61197.5039 0 37675.0938 0 84526.8438 0 48240.8555 0 25668.0879 120732.2969 37301.2539 0 0 0 0 141332 25665.207 0 102091.7188 0 87892.6406 36489.7383 59840.0195 56047.5039 95339.2031 36273.7539 59524.1758 61410.0234 33218.5586 36288.668 81827.2266 52476.0313 119348.2969 73222.4063 57862.8867 127105.6563 115266.2031 160768.7031 44253.3008 22944.1953 41939.1445 97116.6406 68895.8125 64636.2969 45292.9297 53377.9453 0 42756.8008 32970.6172 0 121697.5078 0 39490.5078 84086.1094 17973.4551 36112.9688 35157.0586 43926.4844 88695.0781 53393.207 99372.1875 23665.5898 0 28399.1348 22170.2715 37711.043 0 0 35783.6094 0 43959.168 40497.8594 52704.1836 57181.8516 0 42062.0625 53611.5977 0 96396.7813 52982.0469 48317.1328 68853.4609 67933.2891 100345.9219 102714.2031 63196.1523 0 0 0 0 152309.1406 21913.6387 0 55729.7344 0 37556.6797 53279.8242 102644.25 57567.125 109304.4531 58963.8867 55133.5859 28981.4551 0 57956.5625 69354.6641 49852.832 48391.5859 0 63993.7852 0 18215.1914 38657.0547 36983.3906 91295.6719 0 0 24245.8418 0 29811.8262 24540.3086 68210.7031 34073.4375 28205.5723 85740.8594 54584.8398 0 0 0 25459.7129 23090.3789 21494.0215 0 67124.0859 51073.543 18226.7246 0 44700.7617 21956.8281 43868.668 42999.9844 25949.1367 64925.7813 36381.3672 87931.3516 36222.8008 42603.9531 76748.0078 73284.5 39439.375 126329.0547 79420.5 0 35866.28125 23203.4492 37807.0469 38164.5117 113499.2109 59350.5234 0 35216.957 0 45538.5117 55181.5352 69694.875 51853.0273 73484.2656 44430.4492 0 87001.5078 0 138048.6719 31363.6406 0 52767.5586 101903.8125 34077.7031 31230.373 25844.0859 64869.8125 82842.3047 0 32574.8535 0 79568.0625 53986.918 56351.9688 35186.7422 49532.7578 39324.6953 0 129520.1953 39294.957 83590.3047 17612.5996 46992.3555 21004.2363 60392.4141 26313.7813 46852.8594 0 0 88039.0078 53196.457 38029.4063 55952.9063 0 45542.832 0 0 0 0 61429.3359 31303.2031 65690.8359 0 46800.3867 114010.1641 34309.25 74254.3359 37835.8125 50057.5234 39682.3945 50150.5547 39463.9414 84575.1719 38826.3477 96138.2813 60743.582 50613.9297 46006.9805 54316.8125 0 0 0 47507.8594 82546.1094 0 40669.7305 48383.6367 67461.8125 80106.3516 0 75879.5781 0 0 100053.1953 18048.5781 32198.7051 33493.5469 0 36713.875 52394.7617 95170.5234 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index MASS 1-arachidonoyl-GPI (20:4) 5482 619.2889 1-dihomo-linolenylglycerol (20:3) 6400 305.2486 1-linolenoylglycerol (18:3) 6214 277.2173 1-linoleoyl-GPG (18:2) 5516 507.2728 1-linoleoyl-GPI (18:2) 5494 595.2889 1-myristoylglycerol (14:0) 6353.3 227.2016 1-oleoyl-GPG (18:1) 5610 509.2885 1-oleoyl-GPI (18:1) 5599 597.3045 1-palmitoleoylglycerol (16:1) 6094 253.2173 1-palmitoyl-GPG (16:0) 5570 483.2728 1-palmitoyl-GPI (16:0) 5564 571.2889 1-stearoyl-GPG (18:0) 5816 511.3041 1-stearoyl-GPI (18:0) 5794 599.3202 1,5-anhydroglucitol (1,5-AG) 802 163.0612 10-heptadecenoate (17:1n7) 5555 267.233 10-nonadecenoate (19:1n9) 5780 295.2643 10-undecenoate (11:1n1) 5085.8 183.1391 12,13-DiHOME 5137 313.2384 13-HODE + 9-HODE 5275 295.2283 15-methylpalmitate (i17:0) 5695 269.2487 16-hydroxypalmitate 5236.2 271.2279 16a-hydroxy DHEA 3-sulfate 4240 383.1534 17-methylstearate (i19:0) 5993 297.2799 17alpha-hydroxypregnenolone 3-sulfate 4800 411.1847 2-aminoheptanoate 2384 144.103 2-aminooctanoate 3385 158.1187 2-aminophenol sulfate 1677 188.0023 2-hydroxy-3-methylvalerate 1800 131.0714 2-hydroxyarachidate 5990 327.2905 2-hydroxybehenate 6384 355.3218 2-hydroxydecanoate 4840 187.134 2-hydroxyhippurate (salicylurate) 2184 194.0459 2-hydroxylaurate 5211 215.1653 2-hydroxymyristate 5364 243.1966 2-hydroxynervonate 6345 381.3374 2-hydroxyoctanoate 3736.8 159.1027 2-hydroxyoleate 5560 297.2435 2-hydroxypalmitate 5511.2 271.2279 2-hydroxystearate 5695 299.2592 2-linoleoylglycerol (18:2) 6250 279.2329 2-myristoylglycerol (14:0) 6230 227.2016 2-oleoylglycerol (18:1) 6500 281.2486 2-palmitoleoylglycerol (16:1) 6016 253.2173 2-palmitoyl-GPC (16:0) 6215 570.3413 2-palmitoylglycerol (16:0) 6400 255.2329 2-stearoyl-GPE (18:0) 6350 480.3096 2'-O-methyluridine 1831 257.0779 21-hydroxypregnenolone disulfate 3935 245.0671 21-hydroxypregnenolone monosulfate (2) 4711 411.1847 3-(4-hydroxyphenyl)lactate 1379 181.0506 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-Cmpfp) 4000 267.1238 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 2800 239.0925 3-hydroxydecanoate 4634.7 187.134 3-hydroxyhexanoate 1725 131.0714 3-hydroxylaurate 5175 215.1653 3-hydroxyoctanoate 3446 159.1027 3-hydroxyoleate 5508 297.2435 3-hydroxypyridine sulfate 1595.5 173.9867 3-indoxyl sulfate 2222.2 212.0023 3-methoxytyramine sulfate 1722 246.0442 3-methyl-2-oxobutyrate 1465 115.0401 3-methyl-2-oxovalerate 2064.2 129.0557 3,4-methyleneheptanoate 3807 141.0921 3,4-methyleneheptanoylcarnitine 4096 346.1871 3beta-hydroxy-5-cholestenoate 5398 415.3218 3beta,7alpha-dihydroxy-5-cholestenoate 5275 431.3167 4-allylphenol sulfate 3805 213.0227 4-ethylphenylsulfate 3580 201.0227 4-hydroxychlorothalonil 4427 244.9082 4-hydroxyhippurate 1475 194.0459 4-hydroxyphenylpyruvate 1690 179.035 4-methoxyphenol sulfate 2412 203.002 4-methyl-2-oxopentanoate 2170 129.0557 4-methylcatechol sulfate 2665 203.002 4-vinylphenol sulfate 3320 199.0071 5-bromotryptophan 3525 280.9931 5-dodecenoate (12:1n7) 5224 197.1547 5-hydroxyhexanoate 1267 131.0714 5-methyluridine (ribothymidine) 1778.1 257.0779 5-oxoproline 738.5 128.0353 5,6-dihydrothymine 1637.8 127.0513 5,6-dihydrouridine 1119 245.0779 5alpha-pregnan-3beta,20alpha-diol disulfate 3962 239.0853 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 5060 399.2211 6-hydroxyindole sulfate 2498 212.0023 6-oxopiperidine-2-carboxylate 965 142.051 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 5288.1 429.301 7-methylguanine 1729.7 164.0578 9-hydroxystearate 5384 299.2592 9,10-DiHOME 5180 313.2384 acisoga 2297 183.1139 aconitate [cis or trans] 580 173.0092 adrenate (22:4n6) 5678 331.2643 alpha-CEHC sulfate 3090 357.1013 alpha-hydroxyisocaproate 1840 131.0714 andro steroid monosulfate C19H28O6S (1) 3871 383.1534 androstenediol (3beta,17beta) disulfate (1) 3740 224.0618 androstenediol (3beta,17beta) disulfate (2) 4065 224.0624 arachidate (20:0) 6240 311.2956 arachidonate (20:4n6) 5535 303.233 azelate (C9-DC) 1276 187.0976 beta-citrylglutamate 530 320.0623 beta-hydroxyisovalerate 1027 117.0557 C-glycosyltryptophan 1777 365.1354 caprate (10:0) 5090.7 171.1391 caproate (6:0) 2713.7 115.0765 caprylate (8:0) 4362 143.1078 catechol sulfate 1906 188.9863 chenodeoxycholate 5264 391.2854 cholate 5165 407.2803 citrate 582 191.0197 cortisol 4710 361.202 cortisone 4575 359.1864 dehydroisoandrosterone sulfate (DHEA-S) 4745 367.1585 dihomo-linoleate (20:2n6) 5730 307.2643 dihomo-linolenate (20:3n3 or n6) 5596 305.2486 docosadienoate (22:2n6) 6034 335.2956 docosadioate (C22-DC) 5291.8 369.301 docosahexaenoate (DHA; 22:6n3) 5525 327.233 docosapentaenoate (n3 DPA; 22:5n3) 5571 329.2486 docosapentaenoate (n6 DPA; 22:5n6) 5624.5 329.2486 dodecadienoate (12:2) 5146 195.1391 dodecanedioate (C12-DC) 2990 229.1445 dopamine 3-O-sulfate 1556.2 232.0285 EDTA 643 291.0834 eicosanodioate (C20-DC) 5200.9 341.2697 eicosapentaenoate (EPA; 20:5n3) 5450 301.2173 eicosenoate (20:1) 5950 309.2799 erucate (22:1n9) 6355.6 337.3112 gamma-CEHC 3843 263.1289 gamma-glutamylisoleucine 1600 259.1299 gamma-glutamylleucine 1685 259.1299 gamma-glutamylmethionine 1268 277.0864 gamma-glutamyltryptophan 1960 332.1252 gamma-glutamyltyrosine 1240 309.1092 gamma-glutamylvaline 1072 245.1143 glycerol 758 91.0401 glycine conjugate of C10H14O2 (1) 4335 222.1136 glycochenodeoxycholate 5236.1 448.3068 glycochenodeoxycholate glucuronide (1) 4806 311.6658 glycochenodeoxycholate sulfate 4820 263.6282 glycocholate 5163 464.3018 glycocholenate sulfate 4750 254.6229 glycohyocholate 5020 464.3018 glycolithocholate sulfate 5011 255.6307 glycoursodeoxycholate 5033 448.3068 guaiacol sulfate 2344 203.002 heptanoate (7:0) 3670 129.0921 hexadecadienoate (16:2n6) 5398 251.2017 hexadecanedioate (C16-DC) 4615 285.2071 hexadecatrienoate (16:3n3) 5330 249.186 hexadecenedioate (C16:1-DC) 4380 283.1915 hexanoylglutamine 2780 243.135 hippurate 2106.9 178.051 histidine 755.9 154.0622 HWESASXX 3722 940.4534 hydroxy-CMPF 1516 255.0874 hyocholate 5046 407.2803 hypoxanthine 1291.2 135.0312 indole-3-carboxylic acid 1710 160.0404 indoleacetate 2200 174.0561 indolelactate 2286 204.0666 inosine 1602.1 267.0735 isoleucylglycine 1992 187.1088 isovalerylglycine 1950 158.0823 kynurenate 2224 188.0353 laurate (12:0) 5300 199.1704 leucylglycine 2050 187.1088 linoleate (18:2n6) 5535 279.233 linolenate [alpha or gamma; (18:3n3 or 6)] 5450 277.2173 malate 615.6 133.0143 margarate (17:0) 5731 269.2486 methyl-4-hydroxybenzoate sulfate 2873 230.9969 myristate (14:0) 5440 227.2017 myristoleate (14:1n5) 5346.9 225.186 N-acetyl-2-aminooctanoate 3943 200.1292 N-acetyl-beta-alanine 773 130.051 N-acetylcarnosine 1235 267.1099 N-acetylisoleucine 2325 172.0979 N-acetylleucine 2400 172.0979 N-acetylmethionine 1787 190.0543 N-acetylphenylalanine 2597 206.0823 N-acetyltaurine 800 166.018 N-acetylthreonine 821.6 160.0615 N-acetyltryptophan 2630 245.0932 N-acetyltyrosine 1680 222.0772 N-acetylvaline 1704 158.0823 N-delta-acetylornithine 858 173.0932 N-formylanthranilic acid 2150 164.0353 N-formylmethionine 1543.8 176.0387 N-formylphenylalanine 2360 192.0666 N-oleoylserine 5600 368.2806 N-oleoyltaurine 5610 388.2527 N-palmitoylglycine 5580 312.2544 N-palmitoylserine 5557 342.265 N-stearoylserine 5777 370.2963 N-stearoyltaurine 5782 390.2684 N1-Methyl-2-pyridone-5-carboxamide 1668 151.0513 N1-methylinosine 1874 149.0469 N2-methylguanosine 1988 296.1 N4-acetylcytidine 2040 284.0888 N6-acetyllysine 1059 187.1088 N6-carbamoylthreonyladenosine 2164 411.127 N6-methyladenosine 2593 148.0629 nisinate (24:6n3) 5657 355.2643 nonadecanoate (19:0) 6068 297.2799 O-sulfo-L-tyrosine 990 260.0234 octadecadienedioate (C18:2-DC) 4676 309.2071 octadecanedioate (C18-DC) 5043 313.2384 octadecenedioate (C18:1-DC) 4875 311.2228 oleate/vaccenate (18:1) 5655 281.2486 oxalate (ethanedioate) 603 88.988 p-cresol sulfate 2890 187.0071 palmitate (16:0) 5618 255.233 palmitoleate (16:1n7) 5475 253.2173 pantothenate 1498.7 218.1034 pentadecanoate (15:0) 5521 241.2173 perfluorooctanesulfonic acid (PFOS) 5233 498.9302 perfluorooctanoate (PFOA) 5130 412.9664 phenol sulfate 2156 172.9914 phenylacetylglutamine 2330 263.1037 phenyllactate (PLA) 2208 165.0557 phenylpyruvate 2515 163.0401 phytanate 5908 311.2956 pregnenediol disulfate (C21H34O8S2) 3868 238.0775 pregnenediol sulfate (C21H34O5S) 5000 397.2054 pregnenolone sulfate 5100 395.1898 pseudouridine 1100 243.0623 pyridoxate 2185 182.0459 pyruvate 732.4 87.0088 S-adenosylhomocysteine (SAH) 1832.4 383.1143 S-methylcysteine 880 134.0281 sebacate (C10-DC) 1788 201.1132 stearate (18:0) 5872 283.2643 stearidonate (18:4n3) 5395 275.2017 suberate (C8-DC) 804.3 173.0819 succinate 603 117.0193 sulfate 616 96.9601 tartarate 615.3 149.0092 tartronate (hydroxymalonate) 610 118.9986 taurochenodeoxycholate 5250 498.2895 taurocholate 5150 514.2844 taurocholenate sulfate 4750 279.6142 taurohyocholate 5000 514.2844 taurolithocholate 3-sulfate 5027 280.6221 tauroursodeoxycholate 5025 498.2895 tetradecanedioate (C14-DC) 4000 257.1758 thymol sulfate 4410 229.054 thyroxine 4808 775.6794 tyramine O-sulfate 1565 216.0336 urate 757.1 167.0211 uridine 1457.6 243.0623 valylglutamine 1484 244.1303 valylglycine 1506 173.0932 vanillactate 1625 211.0612 vanillylmandelate (VMA) 941 197.0456 xanthurenate 1476 204.0302 METABOLITES_END #END