#METABOLOMICS WORKBENCH ian9448_20241108_103116 DATATRACK_ID:5358 STUDY_ID:ST003587 ANALYSIS_ID:AN005891 PROJECT_ID:PR002217 VERSION 1 CREATED_ON November 21, 2024, 12:25 pm #PROJECT PR:PROJECT_TITLE Metabolomic-Based Clinical Assessment of Preterm Birth PR:PROJECT_SUMMARY Machine learning (ML), with advancements in algorithms and computations, is PR:PROJECT_SUMMARY seeing an increased presence in life science research. This study investigated PR:PROJECT_SUMMARY several ML models' efficacy in predicting preterm birth using untargeted PR:PROJECT_SUMMARY metabolomics from serum collected during the third trimester of gestation. PR:PROJECT_SUMMARY Samples from 48 preterm and 102 term delivery mothers (1:2 ratio) from the All PR:PROJECT_SUMMARY Our Families Cohort (Calgary, AB) were examined. Selected ML applications were PR:PROJECT_SUMMARY used to examine the small-scale clinical dataset for both model performance and PR:PROJECT_SUMMARY metabolite interpretation. Model performance was evaluated based on confusion PR:PROJECT_SUMMARY matrices, receiver operating characteristic curves, and feature importance PR:PROJECT_SUMMARY rankings. Conventional linear models, like Partial Least Squares Discriminant PR:PROJECT_SUMMARY Analysis (PLS-DA) and linear logistic regression, showed moderate predictive PR:PROJECT_SUMMARY potential with AUC-ROC around 0.60. Non-linear models, including Extreme PR:PROJECT_SUMMARY Gradient Boosting (XGBoost) and artificial neural networks, had marginally PR:PROJECT_SUMMARY improved predictive accuracy and strength. Resampling by bootstrapping was also PR:PROJECT_SUMMARY examined. Among all MLs, bootstrap resampling enhanced XGBoost's performance the PR:PROJECT_SUMMARY most, improving AUC-ROC (0.85, 95% CI:0.574-0.995, p<0.001) for the best fitted PR:PROJECT_SUMMARY model. Feature importance analysis by Shapley Additive Explanations analysis PR:PROJECT_SUMMARY consistently identified acylcarnitines and amino acid derivatives as significant PR:PROJECT_SUMMARY metabolites. Findings underscored the complexity of modeling preterm birth PR:PROJECT_SUMMARY prediction, suggesting a trial-and-error approach for model selection. PR:INSTITUTE University of Calgary PR:LAST_NAME Han PR:FIRST_NAME Ying Chieh PR:ADDRESS 2500 University Drive NW, Calgary, Alberta, T2N 1N4, Canada PR:EMAIL yingchieh.han@ucalgary.ca PR:PHONE 17783848168 PR:FUNDING_SOURCE NSERC #STUDY ST:STUDY_TITLE Comparison of Machine Learning Models for Metabolomic-Based Clinical Prediction ST:STUDY_TITLE of Preterm Birth ST:STUDY_SUMMARY Machine learning (ML), with advancements in algorithms and computations, is ST:STUDY_SUMMARY seeing an increased presence in life science research. This study investigated ST:STUDY_SUMMARY several ML models' efficacy in predicting preterm birth using untargeted ST:STUDY_SUMMARY metabolomics from serum collected during the third trimester of gestation. ST:STUDY_SUMMARY Samples from 48 preterm and 102 term delivery mothers (1:2 ratio) from the All ST:STUDY_SUMMARY Our Families Cohort (Calgary, AB) were examined. Selected ML applications were ST:STUDY_SUMMARY used to examine the small-scale clinical dataset for both model performance and ST:STUDY_SUMMARY metabolite interpretation. Model performance was evaluated based on confusion ST:STUDY_SUMMARY matrices, receiver operating characteristic curves, and feature importance ST:STUDY_SUMMARY rankings. Conventional linear models, like Partial Least Squares Discriminant ST:STUDY_SUMMARY Analysis (PLS-DA) and linear logistic regression, showed moderate predictive ST:STUDY_SUMMARY potential with AUC-ROC around 0.60. Non-linear models, including Extreme ST:STUDY_SUMMARY Gradient Boosting (XGBoost) and artificial neural networks, had marginally ST:STUDY_SUMMARY improved predictive accuracy and strength. Resampling by bootstrapping was also ST:STUDY_SUMMARY examined. Among all MLs, bootstrap resampling enhanced XGBoost's performance the ST:STUDY_SUMMARY most, improving AUC-ROC (0.85, 95% CI:0.574-0.995, p<0.001) for the best fitted ST:STUDY_SUMMARY model. Feature importance analysis by Shapley Additive Explanations analysis ST:STUDY_SUMMARY consistently identified acylcarnitines and amino acid derivatives as significant ST:STUDY_SUMMARY metabolites. Findings underscored the complexity of modeling preterm birth ST:STUDY_SUMMARY prediction, suggesting a trial-and-error approach for model selection. ST:INSTITUTE University of Calgary ST:LAST_NAME Han ST:FIRST_NAME Ying Chieh ST:ADDRESS 2500 University Drive NW ST:EMAIL yingchieh.han@ucalgary.ca ST:PHONE 17783848168 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 150 ST:NUM_FEMALES 150 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 19-43 SU:WEIGHT_OR_WEIGHT_RANGE 44-116 SU:HEIGHT_OR_HEIGHT_RANGE 147-186 SU:GENDER Female SU:HUMAN_ETHNICITY Caucasian #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 510369 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS135.mzML SUBJECT_SAMPLE_FACTORS - 512265 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS119.mzML SUBJECT_SAMPLE_FACTORS - 515122 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS065.mzML SUBJECT_SAMPLE_FACTORS - 515123 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS118.mzML SUBJECT_SAMPLE_FACTORS - 810372 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS056.mzML SUBJECT_SAMPLE_FACTORS - 810373 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS096.mzML SUBJECT_SAMPLE_FACTORS - 810377 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS163.mzML SUBJECT_SAMPLE_FACTORS - 810379 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS136.mzML SUBJECT_SAMPLE_FACTORS - 810387 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS045.mzML SUBJECT_SAMPLE_FACTORS - 810388 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS016.mzML SUBJECT_SAMPLE_FACTORS - 810393 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS102.mzML SUBJECT_SAMPLE_FACTORS - 810423 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS129.mzML SUBJECT_SAMPLE_FACTORS - 810431 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS117.mzML SUBJECT_SAMPLE_FACTORS - 810441 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS103.mzML SUBJECT_SAMPLE_FACTORS - 810444 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS070.mzML SUBJECT_SAMPLE_FACTORS - 810445 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS169.mzML SUBJECT_SAMPLE_FACTORS - 810449 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS120.mzML SUBJECT_SAMPLE_FACTORS - 810453 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS031.mzML SUBJECT_SAMPLE_FACTORS - 810456 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS080.mzML SUBJECT_SAMPLE_FACTORS - 810466 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS124.mzML SUBJECT_SAMPLE_FACTORS - 810467 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS092.mzML SUBJECT_SAMPLE_FACTORS - 810472 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS128.mzML SUBJECT_SAMPLE_FACTORS - 810473 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS134.mzML SUBJECT_SAMPLE_FACTORS - 810482 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS137.mzML SUBJECT_SAMPLE_FACTORS - 810489 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS150.mzML SUBJECT_SAMPLE_FACTORS - 810492 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS151.mzML SUBJECT_SAMPLE_FACTORS - 810495 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS073.mzML SUBJECT_SAMPLE_FACTORS - 810497 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS123.mzML SUBJECT_SAMPLE_FACTORS - 810499 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS125.mzML SUBJECT_SAMPLE_FACTORS - 810502 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS077.mzML SUBJECT_SAMPLE_FACTORS - 810503 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS082.mzML SUBJECT_SAMPLE_FACTORS - 810506 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS035.mzML SUBJECT_SAMPLE_FACTORS - 810509 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS161.mzML SUBJECT_SAMPLE_FACTORS - 810513 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS067.mzML SUBJECT_SAMPLE_FACTORS - 810514 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS009.mzML SUBJECT_SAMPLE_FACTORS - 810523 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS062.mzML SUBJECT_SAMPLE_FACTORS - 810526 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS024.mzML SUBJECT_SAMPLE_FACTORS - 810537 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS072.mzML SUBJECT_SAMPLE_FACTORS - 810538 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS141.mzML SUBJECT_SAMPLE_FACTORS - 810542 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS048.mzML SUBJECT_SAMPLE_FACTORS - 810543 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS008.mzML SUBJECT_SAMPLE_FACTORS - 810547 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS047.mzML SUBJECT_SAMPLE_FACTORS - 810550 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS121.mzML SUBJECT_SAMPLE_FACTORS - 810554 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS098.mzML SUBJECT_SAMPLE_FACTORS - 810555 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS160.mzML SUBJECT_SAMPLE_FACTORS - 810559 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS057.mzML SUBJECT_SAMPLE_FACTORS - 810567 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS050.mzML SUBJECT_SAMPLE_FACTORS - 810568 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS126.mzML SUBJECT_SAMPLE_FACTORS - 810569 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS083.mzML SUBJECT_SAMPLE_FACTORS - 810574 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS061.mzML SUBJECT_SAMPLE_FACTORS - 810578 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS020.mzML SUBJECT_SAMPLE_FACTORS - 810585 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS089.mzML SUBJECT_SAMPLE_FACTORS - 810586 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS022.mzML SUBJECT_SAMPLE_FACTORS - 810588 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS074.mzML SUBJECT_SAMPLE_FACTORS - 810592 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS132.mzML SUBJECT_SAMPLE_FACTORS - 810594 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS046.mzML SUBJECT_SAMPLE_FACTORS - 810595 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS162.mzML SUBJECT_SAMPLE_FACTORS - 810599 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS140.mzML SUBJECT_SAMPLE_FACTORS - 810600 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS148.mzML SUBJECT_SAMPLE_FACTORS - 810602 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS087.mzML SUBJECT_SAMPLE_FACTORS - 810607 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS093.mzML SUBJECT_SAMPLE_FACTORS - 810608 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS149.mzML SUBJECT_SAMPLE_FACTORS - 810611 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS060.mzML SUBJECT_SAMPLE_FACTORS - 810622 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS154.mzML SUBJECT_SAMPLE_FACTORS - 810630 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS051.mzML SUBJECT_SAMPLE_FACTORS - 810637 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS064.mzML SUBJECT_SAMPLE_FACTORS - 810647 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS110.mzML SUBJECT_SAMPLE_FACTORS - 810651 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS143.mzML SUBJECT_SAMPLE_FACTORS - 812216 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS109.mzML SUBJECT_SAMPLE_FACTORS - 812234 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS053.mzML SUBJECT_SAMPLE_FACTORS - 812235 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS049.mzML SUBJECT_SAMPLE_FACTORS - 812245 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS157.mzML SUBJECT_SAMPLE_FACTORS - 812254 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS094.mzML SUBJECT_SAMPLE_FACTORS - 812285 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS138.mzML SUBJECT_SAMPLE_FACTORS - 812315 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS078.mzML SUBJECT_SAMPLE_FACTORS - 812329 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS033.mzML SUBJECT_SAMPLE_FACTORS - 812336 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS133.mzML SUBJECT_SAMPLE_FACTORS - 812342 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS029.mzML SUBJECT_SAMPLE_FACTORS - 812343 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS142.mzML SUBJECT_SAMPLE_FACTORS - 812347 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS075.mzML SUBJECT_SAMPLE_FACTORS - 812350 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS025.mzML SUBJECT_SAMPLE_FACTORS - 812352 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS058.mzML SUBJECT_SAMPLE_FACTORS - 812359 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS042.mzML SUBJECT_SAMPLE_FACTORS - 812369 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS090.mzML SUBJECT_SAMPLE_FACTORS - 812373 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS164.mzML SUBJECT_SAMPLE_FACTORS - 812379 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS010.mzML SUBJECT_SAMPLE_FACTORS - 812397 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS153.mzML SUBJECT_SAMPLE_FACTORS - 812404 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS167.mzML SUBJECT_SAMPLE_FACTORS - 812412 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS159.mzML SUBJECT_SAMPLE_FACTORS - 812431 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS055.mzML SUBJECT_SAMPLE_FACTORS - 812435 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS011.mzML SUBJECT_SAMPLE_FACTORS - 812455 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS122.mzML SUBJECT_SAMPLE_FACTORS - 812458 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS100.mzML SUBJECT_SAMPLE_FACTORS - 812459 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS005.mzML SUBJECT_SAMPLE_FACTORS - 812462 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS059.mzML SUBJECT_SAMPLE_FACTORS - 812471 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS027.mzML SUBJECT_SAMPLE_FACTORS - 812478 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS165.mzML SUBJECT_SAMPLE_FACTORS - 812479 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS131.mzML SUBJECT_SAMPLE_FACTORS - 812483 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS052.mzML SUBJECT_SAMPLE_FACTORS - 812498 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS130.mzML SUBJECT_SAMPLE_FACTORS - 812517 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS166.mzML SUBJECT_SAMPLE_FACTORS - 812523 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS043.mzML SUBJECT_SAMPLE_FACTORS - 812550 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS084.mzML SUBJECT_SAMPLE_FACTORS - 812566 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS139.mzML SUBJECT_SAMPLE_FACTORS - 812580 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS039.mzML SUBJECT_SAMPLE_FACTORS - 815076 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS012.mzML SUBJECT_SAMPLE_FACTORS - 815111 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS088.mzML SUBJECT_SAMPLE_FACTORS - 815124 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS155.mzML SUBJECT_SAMPLE_FACTORS - 815139 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS145.mzML SUBJECT_SAMPLE_FACTORS - 815161 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS018.mzML SUBJECT_SAMPLE_FACTORS - 815179 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS104.mzML SUBJECT_SAMPLE_FACTORS - 818010 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS085.mzML SUBJECT_SAMPLE_FACTORS - 818036 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS069.mzML SUBJECT_SAMPLE_FACTORS - 818197 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS017.mzML SUBJECT_SAMPLE_FACTORS - 818224 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS106.mzML SUBJECT_SAMPLE_FACTORS - 818237 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS116.mzML SUBJECT_SAMPLE_FACTORS - 818274 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS040.mzML SUBJECT_SAMPLE_FACTORS - 818323 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS013.mzML SUBJECT_SAMPLE_FACTORS - 818368 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS111.mzML SUBJECT_SAMPLE_FACTORS - 818371 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS152.mzML SUBJECT_SAMPLE_FACTORS - 818409 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS001.mzML SUBJECT_SAMPLE_FACTORS - 818520 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS019.mzML SUBJECT_SAMPLE_FACTORS - 818540 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS021.mzML SUBJECT_SAMPLE_FACTORS - 818556 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS030.mzML SUBJECT_SAMPLE_FACTORS - 818575 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS115.mzML SUBJECT_SAMPLE_FACTORS - 818577 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS114.mzML SUBJECT_SAMPLE_FACTORS - 818593 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS032.mzML SUBJECT_SAMPLE_FACTORS - 818614 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS108.mzML SUBJECT_SAMPLE_FACTORS - 818626 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS101.mzML SUBJECT_SAMPLE_FACTORS - 818684 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS113.mzML SUBJECT_SAMPLE_FACTORS - 818695 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS127.mzML SUBJECT_SAMPLE_FACTORS - 818706 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS054.mzML SUBJECT_SAMPLE_FACTORS - 818716 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS028.mzML SUBJECT_SAMPLE_FACTORS - 818732 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS105.mzML SUBJECT_SAMPLE_FACTORS - 818758 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS026.mzML SUBJECT_SAMPLE_FACTORS - 818781 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS015.mzML SUBJECT_SAMPLE_FACTORS - 818789 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS146.mzML SUBJECT_SAMPLE_FACTORS - 818822 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS095.mzML SUBJECT_SAMPLE_FACTORS - 830390 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS023.mzML SUBJECT_SAMPLE_FACTORS - 830408 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS002.mzML SUBJECT_SAMPLE_FACTORS - 830505 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS014.mzML SUBJECT_SAMPLE_FACTORS - 830560 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS034.mzML SUBJECT_SAMPLE_FACTORS - 830635 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS144.mzML SUBJECT_SAMPLE_FACTORS - 830640 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS004.mzML SUBJECT_SAMPLE_FACTORS - 830687 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS091.mzML SUBJECT_SAMPLE_FACTORS - 830757 Termstatus:Term Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS041.mzML SUBJECT_SAMPLE_FACTORS - 830762 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS036.mzML SUBJECT_SAMPLE_FACTORS - 830850 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS156.mzML SUBJECT_SAMPLE_FACTORS - 830872 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS037.mzML SUBJECT_SAMPLE_FACTORS - 830909 Termstatus:Preterm Birth | Sample source:Blood Serum RAW_FILE_NAME(File Name)=OFAOFMS044.mzML #COLLECTION CO:COLLECTION_SUMMARY Serum samples were collected during the third trimester between 28 and 32 weeks' CO:COLLECTION_SUMMARY of gestation. The collected serum was centrifuged and stored at -80 storage CO:COLLECTION_SUMMARY until the day of sample assay. CO:SAMPLE_TYPE Blood (serum) CO:COLLECTION_LOCATION Calgary CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY The experimental group in this study were pregnant woman who later experienced TR:TREATMENT_SUMMARY preterm delivery. No additional treatment was implemented. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample were prepared following the procedure described in the published SP:SAMPLEPREP_SUMMARY manuscript titled “Maternal Acylcarnitine Disruption as a Potential Predictor SP:SAMPLEPREP_SUMMARY of Preterm Birth in Primigravida” published in Nutrients (2024), 16(5), 595. SP:SAMPLEPREP_SUMMARY doi: 10.3390/nu16050595. SP:PROCESSING_STORAGE_CONDITIONS Room temperature SP:EXTRACTION_METHOD Protein precipitation with methanol SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION in 1:1 methanol:water SP:SAMPLE_DERIVATIZATION no SP:SAMPLE_SPIKING no #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Reverse Phase Positive ESI method CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent QTOF 6545i CH:COLUMN_NAME Waters Acquity HSS, 2.1 × 150 mm CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B 0.1% formic acid in acetonitrile CH:FLOW_GRADIENT Initiated with 5% B for 1.5 min, then a linear gradient of B from 5% to 100% for CH:FLOW_GRADIENT 14 min, followed by 100% B for 3 min. The gradient returned to the 5% B starting CH:FLOW_GRADIENT condition at the 17 min mark and equilibrated for 2 min to conclude the run CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS spectrum was obtained in positive ionization mode betwenn 50 amd 1200 m/z. MS:MS_COMMENTS Peaks were labeled using XCMS web platform. Compound identifies were determined MS:MS_COMMENTS by inputting m/z for identified peaks in Human Metabolome Database for the most MS:MS_COMMENTS probable compound candidate based on tolerance threshold of 30 ppm. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples 810387 810453 810506 810526 810585 812285 812342 812359 812459 812462 812471 812478 812517 812523 812566 812580 815076 815139 815161 815179 818224 818237 818274 818323 818368 818409 818520 818540 818575 818577 818614 818626 818684 818716 818732 818781 818822 830390 830408 830505 830560 830635 830640 830687 830762 830850 830872 830909 510369 512265 515122 515123 810372 810373 810377 810379 810388 810393 810423 810431 810441 810444 810445 810449 810456 810466 810467 810472 810473 810482 810489 810492 810495 810497 810499 810502 810503 810509 810513 810514 810523 810537 810538 810542 810543 810547 810550 810554 810555 810559 810567 810568 810569 810574 810578 810586 810588 810592 810594 810595 810599 810600 810602 810607 810608 810611 810622 810630 810637 810647 810651 812216 812234 812235 812245 812254 812315 812329 812336 812343 812347 812350 812352 812369 812373 812379 812397 812404 812412 812431 812435 812455 812458 812479 812483 812498 812550 815111 815124 818010 818036 818197 818371 818556 818593 818695 818706 818758 818789 830757 Factors Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Preterm Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum Termstatus:Term Birth | Sample source:Blood Serum 4-Aminohippuric acid 8415.821 8256.864 3974.474 3597.318 1230.643 12096.71 11911.13233 12965.92733 15081.3135 16550.88 8207.972 10533.73 10091 12876.23 10045.38 11752.37 3219.365 12374.5439 9076.75 9484.982 7626.026 4874.599 4799.18 8162.646 1521.829 1113.725 4712.851 10167.55 5978.815 11404.46 4700.725 6982.168 5258.229 6458.579 11369.81 2688.383 6368.545 12381.35633 13704.87 4811.957 12389.2073 7810.171 3424.185 2491.428 8807.09 4970.865 3609.687 9797.486 9250.603 3601.055 17707.81 15281.17814 5762.009 11999.18 12918.02 7840.606 9237.453 9466.623 8860.785 22154.19 8535.386 15376.57 9137.57 9598.294 5896.267 6671.476 10898.11 2279.584 1067.563 15268.44 7265.232 2292.236 2893.843 5704.049 12504.81 2491.396 10051.84 3517.767 5855.406 2367.507 3929.063 6715.199 4188.419 6644.825 8278.459 15062.01 19233.55 5276.317 5315.177 7763.957 3824.996 12589.12 9598.776 2931.942 4586.778 1053.936 4838.035 6654.572 2772.341 7467.499 2956.016 5161.072 11839.79 5952.682 351.2772 3794.825 4267.281 3780.998 4802.875 7112.815 2159.735 21681.07 21333.85 3799.094 11448.44 14160.08 18441.42 8552.565 16203.00625 19142.68 12271.32956 17381.61 14766.7132 12463.69586 18613.69 5035.346 11650.83178 15530.75338 19818.44 19241.99 12963.25856 21034.31 8042.991 9023.536 16335.89386 13446.7665 7271.172 11385.63222 4309.964 11748.473 21323.11 5599.304 2992.633 5696.768 3443.979 6060.337 4564.755 1522.63 3227.926 1581.13 5-Aminopentanamide 6905.938 14832.41 8179.276 7409.747 999.3431 4862.409 12560.71 14017.71 6615.843 3483.908 10999.82 916.2603 12592.81 2506.053 5228.467 5586.575 6438.503 10482.32 15690.81 14411.73 4300.964 5201.573 11027.44 4798.832 1026.068 1901.187 2577.826 9478.679 8095.225 7657.005 6617.064 10666.01 3749.144 10680.75 3643.575 3347.925 5863.835 11585.36 20775.71 4908.46 6785.119 5019.105 12585.04 1675.113 9686.842 10126.3 2868.637 3854.583 14041.57 10040.88 11170.5 10156.96 3844.81 8533.787 12961.55 13661.17 3663.52 7238.199 8669.693 14838.11 6954.068 22486.5 8760.898 11227.13 15734.67 13789.08 14429.87 1849.812 409.0773 19978.43 12586.6 3789.665 1056.761 3686.636 5013.956 2611.773 17896.22 12352.87 8007.709 8220.572 2604.13 4536.972 2114.438 6168.295 7281.296 5512.114 3102.946 12658.73 3144.02 4319.319 7171.612 6807.208 5679.631 1765.571 9088.27 701.1914 9174.818 7371.686 7932.183 7848.744 8512.561 3494.818 6113.14 8575.032 5402.319 13305.19 1966.385 10979.24 4232.54 10704.57 2591.793 15369.15 14267.64 11263.17 11866.57 9735.706 8768.564 11751.11 15283.35 4223.994 10608.27 9233.873 10132.05 8489.023 8372.791 5324.041 14687.41 16769.61 7951.164 9223.72 14003.77 9640.576 5024.143 5711.498 15176.06 15877.7 13409.61 10628.19 689.5164 19005.43 10860.62 8956.135 4464.861 2461.997 2219.069 11573.56 2608.258 1265.234 1788.735 1996.769 5-Hydroxyoctanoylcarnitine (C10:0-OH) 542037.6 705404.3 30561.18 863578.4 14296.16 109494.9 218526 679800 222369.1 81372.45 121021.8 9217.965 511911.4 32116.35 546341.7 382614 500056.7 714669.1 95479.77 58953.68 351023.2 443526 245718.1 77662.71 12509.84 8843.023 17244.54 82906.51 108398.9 511909.6 524324.4 127223.6 53838.32 160289.1 43355.4 131643 89460.62 1121926 157100.5 573725.8 445272 28307.44 97426.84 30913.58 96505.62 46920.6 66022.54 64408.35 487167.9 263360.1 87781.44 733212.4 99706.1 996294.5 411338.7 607034.4 81796.69 710644 564692.3 650092.1 508001.5 837445.1 543499.9 102959 496218.4 622783.1 462839.5 161361.8 9867.66 345158.9556 568130.7 28943.47 257446.9 56878.54 238346.3 31882.24 275509.3 68684.3 66566.35 27608.19 54879.33 251319.9 38464.51 554648.7 55146.58 39145.47 36553.95 80892.47 95683.05 99183.4 67204.69 75992.81 278031.9 54164.84 84858.86 26624.2 59715.42 115747.1 68390.49 59791.89 35924.04 105428.4 116148.4 94927.85 520887.2 40026.87 31541.02 101188.7 37758.12 48997.14 36257.46 661887.5 1039911 386432.875 427933.9 565706.6 805821 326388.8 912398.9 24026.91 987512.1 482934.6 734834.1 266296.4 491604.4 170037.4 691111 967481.9 204735.6 131552.6 1022523 613856.5 165751.6 451811.5 870457.9 914226.4 602936.2 312465.6 17377.16 477865.7833 924697 622651.2 82816 42508.21 25674.34 815342.7 26163.29 13138.99 24484.54 54027.71 Acetylcarnitine 18407.93 27834.15 52804.09 7649.033 1701.066 25556.04 25589.651 25683.56 41777.08 9178.329 15242.37 1087.315 13949.93 3068.275 2441.601 21795.52 23257.04 19477.74 31131.73 22593.714 7699.277 36707.56 9224.054 18322.77 1345.068 3336.9 2530.422 18657.5221 44015.54 21143.81 18667.99 48067.28 10008.41 16914.58 35086.73 2314.588 17532.33 25871.23778 3253.357 7095.883 19611.781 3302.897 34605.09 7076.276 26643.02 14077.84 9380.087 28215.93 16277.16 19310.52 17472.34 28607.34 15326.42 20406.44 27032.96889 26397.5 5732.123 26070.96 11463.35 31822.27 36887.74 56214.96 20018.01 22258.5088 23965.99 46194.91 23800 2310.98 687.9394 27410.83 17674.01 5118.677 7571.455 45625.95 21915.3 1939.731 55442.46 43889.54 15412.42 16434.32 35686.04 14799.6 1462.009 3730.211 6774.869 11529.46 9646.603 19320.54 6523.725 9948.109 30301.82 33802.64 16540.31 792.2826 16049.45 1097.429 15888.99 7724.991 5233.108 55663.93 9652.348 17987.55 15785.25 29096.83 9464.930044 9500.769 6718.36 13119.81 7824.369 7428.649 10321.3 29267.3 27808.65 20084.89 2580.571 42583.48 13576.84 49916.19 30811.65 4339.242 28694.56 49566.25 20430.65 13078.77 16444.1 19967.53 39218.57 31379.677 18110.86 18838.35 25784.3 25855.11 13961.28 2260.649 49515.34 24450.94556 22383.974 23669.426 1818.857 29505.43 22718.76 10462.69 18687.56 6400.366 4404.346 28200.73 5875.281 4741.638 3943.895 1312.386 Acetylcholine 66215.75 58401.77 48312.78 101500.3 37270.36 67373.81 90280.66 96606.42 62281.78333 51153.32 44255.58 49689.08 34959.3 39813.11 55792.21 66667.5 50593.11 103522.9 94559.7 71972.882 55270.95 60604.1 52119.1 74861.56 42826.25 53984.16 54630.43 61822.18 54645.32 58973.25 45446 62600.4 60350.64 48916.65 57723.19 31204.54 54691.18 107815.1 76080.53 49414.06 83448.42 45688.95 67786.09 54195.37 42525.46 61258.48 38978.03 56117.14 52238.58 49869.55 96336.59 98417.76 54628.93 98115.54 87505.42 56216.66 76174.22 71261.91 58682.4 65436.24 50921.54 67447.76 65077.53 48203.98 61209.37 47140.81 58811.91 45428.97 49252.77 80555.23 51537.11 35344.72 46102.55 50011.28 96613.39 39008.68 80480.32 53568.9 58284.89 40203.94 44352.01 30054.85 47186.6 47854.31 53092.63 83463.66 65756.76 53494.91 48143.2 51285.55 53341.64 59949.23 68409.54 60980.13 53157.45 30973.89 45191.29 61142.31 55141.89 56846.26 55559.04 51777.28 76075.28 72440.3 9538 49773.22 54494.5 53274.88 46539.21 44998.78 39460.52 83625.554 73845.48 77618.23 60384.07 97880.54 86934.37 78945.54 73588.45875 65699.28 67314.90111 51880.86 69469.76 52661.915 85371.81 43214.79 81766.47 76446.59 74012.62 55545.48778 80562.72 89645.8 46163.09 39575.32 80815.80333 73787.29 52940.58 74315.48 43007.26 102463.8 69599.7825 58991.51 36249.78 50210.38 46017.13 54012.71 39996.84 29800.07 42505.23 48538.99 Acetyl-L-arginine 16202.99 21605.96 26034.69 15529.65 2931.775 5419.129 24194.96 30143.06 12602.94 18752.38 12565.96 7142.935 20624.88 9729.893 11134.4 13203.34 11946.9 25549.93 17281.07 17691.15 9125.514 12459.01 18336.4 29638.89 7237.204 8311.521 10398.45 11598.62 22583.43 17458.89 11462.23 13782.75 18901.88 18908.33 32280.59 7055.534 22863.36 27878.46 24332.05 10728.36 16051.3 21756.74 32849.24 11349.98 24925.03 29515.26 20966.73 34634.06 20785.47 21143.26 21918.9 27841.02 2586.926 18963.77 24935.9 20940.54 18155.23 9036.733 16198.56 29012.38 14276.24 29375.11 13838.38 15711.38 22940.92 24310.21 20784.16 3963.157 3684.58 29126.82 18832.98 15715.18 6992.033 30018.96 32434.9 8147.255 24166.86 36353.79 31710.09 23096.11 19716.44 13070.42 9841.59 11473.47 25410.11 17700.68 21543.44 29886.93 24487.28 26894.94 31591.94 32372.61 32076.55 9672.702 31002.74 2835.636 26648.31 28120.99 23747.9 30376.67 25196.67 23322.96 22517.92 34019.67 10448.03 36120.54 14912.48 39154.01 16786.66 25255.33 10684.8 34077.43 31155.12 30795.6 20907.22 17100.49 26131.79 17092.05 34596.56 6305.872 25120.81 21350.8 22365.48 18904.89 16826.37 10974.1 31428.24 35692.23 13158.86 13515.22 30253.21 22613.89 8153.674 12015.55 32175.56 29580.9 22146.4 19305.34 3699.405 41055.61 25463.27 15826.9 29107.33 18616.73 13084.87 20956.19 20950 8431.403 2261.503 13234.11 Alanine 4762.2949 6599.2686 7439.501 5350.039 4427.125 6922.702 15434.94 7292.29 8444.125 5679.373 11055.3 3555.875 7525.905 5496.291 6591.716 9215.731 3965.7084 7316.186 11061.14 8156.401 5348.063 5789.0848 4262.3352 9291.571 4144.02 4304.304 3457.428 14062.62 9864.32 6973.8201 4577.63 6067.638 4665.235 16697.77 12740.16 4727.73 8721.154 11946.39 8506.895 4349.464 10852.69 4855.05 7154.307 4598.756 12986.7 8003.133 9661.857 6654.985 6721.1707 8333.946 10559.8 6733.998 18376.37 5614.5849 6127.844 7044.6306 8496.004 6575.7 4477.6209 710.346 7067.0859 8288.049 5718.895 5921.469 7535.374 4858.282 5861.078 10202.02 4036.593 7211.992 4995.4706 5276.255 4373.762 15745.84 12799.61 4427.277 8613.6994 5053.637 11884.24 5860.818 10444.05 5750.008 8255.077 4629.458 10084.19 8991.06 4531.817 9057.555 14105.91 11865.99 10119.48 12209.38 9029.367 4087.038 9776.535 2002.6 10807.28 7965.111 5350.653 7818.728 6512.529 9999.973 5806.261 8491.276 9737.91 8766.815 2267.979 5630.348 5159.631 7595.538 4158.904 11983.29 8737.014 7231.6656 6423.3318 8631.207 8289.565 4937.9073 7998.327 3341.812 9594.146 9718.036 8868.0431 7997.3 6295.266111 5019.931 10990.11 14961.46 7904.279 7091.385 6948.945 11905.19 4451.8495 15666.74 9323.6606 8617.664 8451.564 9864.108 5795.787 8655.431222 9996.762 4882.928889 6308.393 4822.787 6444.925 8065.3783 7185.206 6576.023 4162.587 4553.917 Alanyltyrosine 13420.35 5064.727 2653.29 11827.59 298.3332 16341.89 8233.995 10499.8368 5548.046 4710.427 1393.063 1193.461119 988.9983 6965.197 5659.507 3652.134 3538.632 5997.304 5666.183 12286.06 9323.885 3583.708 2727.123 6500.3837 918.9155 473.374 300.5926 7632.499 19375.02 6747.122 5541.896 11503.25 3951.88828 533.7529 9259.828 5222.039 1933.793 7463.698 2233.804 9180.8 9973.909 1904.114 5153.935 6910.628 12361.4 8455.197 4295.43 9337.58 14504.12 2172.698 1209.858 9055.496 10018.7 12246.4 18094.7 4073.548 16954.09 5079.031 3727.307 5475.163 7455.019 6790.211 4668.042 5147.682 5146.002 3493.838 4978.063 442.6949 1033.401 10255.71 8387.561 1875.276 145.7258 8018.5455 12942.05 1674.459063 7135.36 7166.504 6708.518 2982.692 1665.716 2899.897 1205.853 4544.751 1831.883 4910.293 2487.413 550.3207 10824.01 7648.285 18801.51 12799.96 14996.55 568.4032 3917.42 1047.542177 2182.089 3708.843 3214.289 8777.971 3014.45 517.2491 4997.241 18425.67 4010.961015 3199.19 1882.761 2160.354 1827.049 5231.252 2384.248 13809.45 8648.187778 3538.49 6310.477 5889.78 11252.62 12786.46 15699.5 6601.32 13325.05 4527.413 18335.07 4329.776 7839.718 448.5005 7545.348 5058.458 3166.065 4270.593 2492.77 5734.483 5198.76 5491.452 8890.3742 6711.3074 388.7684 16065.02 749.8087 17161.99 15080.78 6704.364 7885.486 1108.395 571.248 3764.517 3066.045361 1621.620389 5595.255 6647.73 alpha-Ketoisovaleric acid 3188.207 3869.392 7468.913 3992.894 1694.602 5892.882 5155.344 7680.696 4060.179 8064.661 5183.975 1413.218 4541.209 617.5474 3583.461 2217.046 3880.601 6382.969 7304.857 8225.389 2208.043 3006.963 3836.585 11070.81 1841.614 2166.098 5457.882 5554.054 6085.97 5576.126 6088.659 5392.223 7850.055 1988.279 6134.462 2092.005 9831.949 3128.184 2923.34 2387.505 2980.451 7344.773 10232.09 2040.734 6232.712444 6343.843 4354.323 2811.484 4041.003 8895.913 3882.256 3481.968 4930.279 3675.938 719.5298 2371.175 10642.62 4792.029 6156.419 7428.299 3783.66 6474.013 6727.774 3276.851 4765.461 4788.184 3685.605 798.6143 448.8019 7089.234 2448.168 4379.273 1434.543 7049.313 7433.043 1540.077 4476.392 11016.25 8989.546 5042.447 4422.313 1266.285 2786.621 3083.377 6143.66 3472.29 10869.74 8358.853 4500.67 9537.454 5692.07 7273.134 10451.78 2260.956 6474.181 1582.013 4304.17 5055.036333 9212.98 6760.193 4309.756 4574.154 5658.186 6100.704 6730.119 7124.964 3102.928 10460.46 3997.115 12878.79 3734.663 6287.366 6019.034 5561.741 3266.925 6526.154 3314.914 3911.606 3237.609 2110.391 5854.363 4397.796 5194.358 4448.468 6779.052 4738.08 4512.428 4081.231 11598.4 2822.146 5824.778 4248.977 2903.145 2084.153 5712.26 6184.753 4917.581 2329.289 1437.823 8309.686 7612.12 3286.225 11122.85 3158.467 4623.692 5835.025 4422.974 2160.168 583.5253 3168.465 Androsterone 36869.37 56016.4 77649.59 25082.61 15871.2 44505.21 74703.81 29312.92 46267.74 65148.48 54743.09 17151.99 56057.92 24140.11 36411.58 49065.2 36763.56 34763 64319.76 62411.46 21969.82 28317.38 20115.48 89854.62 15070.7 15179.46 24726.81 40867.46 126039.3 24729.35 37841.1 52732.94 30940.09 30780.73 65478.87 10518.48 45751.86 55059.25 90276.53 17233.92 18068.6 50430.1 100650.8663 28072.75 140610.2 92846.63 76398.56 62050.52 63976.18 38396.35 43065.89 38544.89 21843.31 101802.6 53810.01 71933.28 83623.93 33008.96 40620.23 39610.7 46560.95 89083.8 41170.05 46691.29 67751.69 58272.34 84031.04 7016.659 10307.28 119674.5 66598.61 27236.69 9315.639 81288.51 93894.23 22691.61 102507.2 80318.09 118804.3 53624.58 67855.34 16775.39 24457.1 17005.79 49628.95 57926.98 68117.96 120618.3 67088.39 37442.13 99011.17 37440.7 58184.69 22866.25 132707 11601.86 99146.6 75816.77 51825.28 48457.21 86368.71 142512.6 109973.3 118866.3 20354.84 121197.4 33908.1 86478.99 14104.49 93242.66 25421.77 70546.76 67085.63 24776.63 79055.16 62654.34 30254.2 63606.62 38050.13 73878.32 30868.76 44727.84 44905.74 29241.04 23211.53 35448.51 77045.6 95173.66 20928.96 27080.65 49698.62 59401.22 33689.03 58448.74 44971.69 64771.12 67935.06 44573.87 9047.99 34076.94 25485.48 34522.19 75371.61 52039.07 26154.39 33037.5 26702.23 19724.74 6887.055 17047.5 Arginine 29482.21 43690.76 19783.36 27436.81 35827.32 51667.95 66569.14 62650.8 60234.49 19871.73 32917.72 21643.81 64327.88 27949.63 27462.93 53528.82 21647.86 49884.61 57297.99 58995.74 27099.02 24453.11 29193.12 45513.6 40916.26 54971.74 22620.56 37421.98 41655.45 38384.23 36990.58 22722.34 37562.55 29343.66 36581.68 55137.58 58066.4 50053.41 39665.49 28751.17 64972.57 44733.18 35070.84 29136.6 33748.22 40614.6 29645.52 40102.09 28964 56567.44 71698.72 45712.42 51945.72 63549.9 37140.66 37212.76 14549.12 26318.4 30824.41 78780.67 31055.97 40081.1 33647.11 34434.79 29035.96 32658.47 27948.39 31704.9 25799.83 57595.11 28428.02 31443.03 43917.78 29803.96 45994.15 30609.63 57535.41 30346.17 30074.52 24943.81 42083.67 51468.96 21385.41 32425.37 39187.42 32533.63 32001.6 26663.27 24426.94 35515.9 28394.89 33249.21 28199.85 41193.2 41439.37 40949.14 30527.57 47097.25 23049.87 29130.88 24638.57 18102.39 29758.96 44271.5 2844.903 25182.59 20789.37 48820.37 68901.9 28956.4 33085.34 61617.54 84494.44 55902.57 31307.8 67038.04 53863.44 40288.2 57644.05 25836.47 67586.04 54328.56 57450.36 48971 70012.17 34384.47 48680.32 58786.28 46094.93 51951.51 40484.93 70345.43 31014.99 29917.77 85396.04 61122.4 40356.54 59759.12 31432.98 57509.94 54238.24 22549.7 34244.73 22939.25 37997.31 27509.17 26132.16 32316.93 43360.08 35577.63 Arginylasparagine 117330.1 95971.31 55902.3 93533.08 14161.74 140368.7 228218.2 239344.8 208857.7 95555.01 119573.1 25358.2 102637.7 64227.87 86805.45 106143.4 130537.9 186333.9 70106.57 150577 54225.41 85703.4 64376.11 84754.92 11106.88 24001.5 40699.71 84276.43 67540.58 136381.4 52410.1 112821.8 89108.57 76186.27 92549.78 27143.7 65506.98 259815.3 112657.1 54107.86 95408.23 54064.03 79085.23 32842.07 90798.23 115724.7 76592.05 89596.79 96606.3 164865.2 259399.4 150539.495 75264.38 121900.4 213974.7 107712.4 94842.84 107315.6 94429.6 193704 164494.8 128541.3 79011.3 69461.49 100964 105298.3 83930.81 24547.75 10387.61 98868.65 89098.42 37780.7 30855.27 161555.3 93306.56 17600.43 107683.9 82167.13 97854.89 43518.15 64559.87 73150.02 25240.38 48317.08 74560.12 48237.25 70199.87 72559.53 84215.45 84130.74 71958.85 90968.97 113813.9 23172.28 113898.1 14342.25 79726.64 65102.52 43914.24 105344.8 51414.6 80127.59 101859.9 89734.41 16354.58 74634.85 49820.39 96052.1 35852.69 62909.84 32574.23 153783.3357 282298.7 238268.6 136182.8 105745.8 261462 155017.1 263971.6 111804.6 168350 201545.2 237225.3 269848.4 156637.1 145429.5 222857 211128.4 210024.5 171474 183796.1 135814.0138 86956.09 103612.5 285743 217936.3 80290.32 152309.4622 24505.85 250670.2 168210.9 96418.84 69361.8 42226.4 25888.49 110623.6 41987.05 20786.59 25097.93 26643.72 Arginylglutamine 77928.88 65346.01 41761.33 59401.27 11570.97 96264.83 117213.47 174835.7 162107.3 75963.82 107239.8 22503.97 75419.19 58805.82 66636.79 89996.78 82154.57 125492.4 61537.31 101858.8 38378.02 66700.11 44360.05 59242.93 13622.01 19361.82 36108.72 68836.63 57967.2 104499.3 38909.7 93825.76 57295.4 61756.66 76349.09 23358.01 45556.06 134258.1875 101356.4 40296.98 66562.16 36265.2 61352.74 25862.16 69459.65 83375.48 59827.08 68900.07 80141.96 80715.09 104949.915 113659.58 52425.65 87065.69 104230.241 84628.8 75407.9 69071.12 62033.42 149009.3 116195.6 87503.57 56095.32 48339.52 74957.32 77123.69 56555.68 19142.46 8426.619 63810.02 61394.77 24557.36 20026.71 104934.4 64496.66 14804.55 73451.56 45118.21 70307.06 31563.23 51269.32 43547.75 17474.61 32018.63 41941.7 33754.31 45535.9 53243.09 61881.11 57522.48 51112.42 56128.58 76061.52 18805.49 81599.82 11126.66 56051.42 44961.56 32166.2 92442.83 36804.3 53968.07 95067.02 64656.5 2187.769 59174.94 46630.16 66862.59 27497.05 47453.24 24150.88 115012.055 124281.8517 133431.8 91346.58 87366.17 165392 107529.9 156770.07 96508.06 124744.8 155371.8 131186.426 159228 125560.5 125168.3 181045.9 183689.6 143232.1 144894.5 130451.8 116292.3938 68446.97 91749.33 152960.2143 172253.7 55316.89 97422.52222 19480.14 119531.2538 126252.8 66451.79 50645.29 38643 22687.71 87350.46 37143.3 19589.5 23236.88 16751.27 Arginyllysine 7920.099 10986.77 3150.206 3079.636 748.8038 7380.391 9153.599 12640.90957 20572.07 12088.96 10560.6 3578.227 14047.13 4101.921 6016.686 9154.375 11989.28 5371.367 2408.704 9649.058 3361.068 10986.24 4198.795 3654.289 541.3965 3422.117 3677.107 5138.861 1785.52 19019.22 2144.45 11027.98 7192.896867 5675.363 11439.43 1028.314 3233.531 10555.564 8243.473 6255.586 6336.188 6167.374 15268.59 3072.137 3861.464 10796.93 2018.52 1993.29 2202.641 11848.73 22089.22 21731.97 9447.488 9229.595 11403.79 15869.41 9312.424 8596.986 6511.473 5987.256 9209.249857 18575.02 3546.475 12307.8 11111.28 6656.166 12941.74 1092.464 995.1902 7159.329 3503.534 3904.061 3215.185 16485.79 7748.528 67.9193 6230.387 5214.333 10741.92 631.665 2315.762 1041.098 3078.977 2885.901 2467.988 6337.66 3792.398 9417.956 5842.625 7325.183 4370.888 5062.128 10795.98 880.1536 7566.984 1304.277 13502.35 6946.126 6746.508 18684.87 9165.163 11179.64 6659.788 8201.602 1014.414 4519.978 6251.054 2819.382 2413.339 698.5711 3949.757 13331.68686 12410.42686 19124.61 10637.23 10024.26 16101.13 9900.435 14213.12 11409.48233 4538.012 15654.71 16628.11 13556.04243 10500.80871 6398.301 8356.739 6222.06 22049.21 4796.654 7475.661 15292.97638 9216.012 12214.06 12419.931 20119.59 3895.949 17052.25 1364.309 11235.12 10148.46 12257.99 7988.916 2767.475 357.7908 6904.948 576.4003 1234.791 1567.051 2324.797 Arginylmethionine 8965.588444 10326.7 9250.036 7898.059 2483.734 8097.9163 14702.63413 15750.51 14563.39 9450.018 8107.281 3812.33 8721.349 4273.719 8967.449 8112.535 7156.206222 14969.07 7860.725 23958.03 4638.765 2546.773 6545.613 11474.25 1866.442 2246.975 3864.342 6457.496 8282.1737 10722.13 7734.312 7929.772 7702.49 5977.626 14184.55 3653.754 12015.82 14923.34857 13840.86 6837.6771 12653.84 7197.742 16954.14 3897.96 11931.7 11095.69 7918.536 8692.752 13608.66 14379.11 24238.56 16836.727 6203.314 11660.31 10138.7 7497.154 14873.87 10706.48 9036.579 14415.4511 7014.815 13425.46 15073.11 11862.93 9165.362 8671.137 7675.512 2604.709 2185.894 6704.592 12630.69 4586.76 3933.565 11623.51 6055.575 2706.919 16244.75 3294.066 13592.24 7926.47 8091.904 5228.519 3351.275 5604.617 9116.6 7879.484 16533.18 16452.66 6897.773 9968.943 7181.275 11341.28 19867.09 9699.33 14816.77 5023.14 11822.65 13729.37 6676.078 12386.71 7131.27 8509.385 9096.957 14753.69 4746.96 10727.59 4754.316 9329.787 4418.677 17434.75 3577.194 16364.42667 16319.68989 23666.82 13259 8640.133 14578.5385 9751.125 17081.503 22810.95 14749.76 15924.97 20279.61 23297.85 11214.68 6040.359 14892.86767 16467.42511 17645.75 10532.3143 12523.47189 19686.22 8774.1 7468.339 19646.62857 13657.536 8917.228 12433.2245 5785.049 13061.40233 5657.365 7632.17 9030.212 6116.029 3706.19 8892.5 6838.494 3428.514 1918.593 4293.914 Asparaginylglycine 4782.14 18191.53 13470.87 2867.733 3876.729 16078.8 12057.73 22056.28 19267.86 14375.06 10733.51 2671.983 2150.346 6294.161 3192.777 1349.276 1504.92 15877.53 10700.01 18206.57 8728.2 14087.24 2397.326 19150.48 3513.291 2604.473 8452.574 14525.53 11803.26 7817.434 5946.523 6330.517 15230.06 11383.72 20659.84 401.311 17757.26 25839.52 13866.2 2480.224 18332.18 12462.34 14968.06 6978.017 20214.71 14832.76 11097.51 16059.58 8927.163 14177.84 3879.088 6006.758 12338.21 11092.08 3318.317 6682.585 18947.62 8520.443 2320.114 17195.3 6912.776 18111.84 12888.94 10698.23 10999.92 3368.157 2486.143 1856.392 928.8986 2561.039 822.656 9075.99 680.497 22669.61 18788.54 2314.721 3278.719 21891.03 21110.48 10321.09 13334 9088.409 6127.4 2499.58 13432.84 7788.26 19937.04 20320.04 17911.6 19701.92 13132.32 16111.7 25819.98 3360.049 20194.34 3033.561 11579.16 19137.3 10812.79 20492.69 13849.33 14940.36 15376.16 23500.33 13213.69 17515.42 9376.804 19979.95 10434.72 15522.88 7268.964 5698.489 5777.552 7083.768 3888.687 3372.82 16472.08 2856.892 6924.27 10739.33 26193 8355.259 21690.13 24889.24 25574.04 2377.369 12935.52 24460.72 6367.911 9092.133 15283.62 3725.161 11158.85 7560.525 13861.6 26119.77 3367.533 21878.43 2089.25 12882.99 22858.73 15691.14 20973.99 10341.05 7096.13 8630.72 12522.18 3695.424 2180.051 6258.425 Aspartylphenylalanine 4849.166 6769.595 2420.737 5830.546 2265.916 3207.846 12940.87 26947.48 17385.51063 17032.55 10184.2487 866.2958 20275.96 107.039 1486.717 6903.643 22377.3 2304.638 1002.58 12244.9 7206.145 11424.44533 2844.767 3414.428 36.82114 188.5735 3998.49294 6225.861 5528.991 14974.353 521.1478 19304.09 516.65 7143.539 28949.21 1873.365 6350.467 13727.119 3263.594 7328.706 12003.09256 25836.98 10905.976 6012.252 932.0768 9328.6265 3983.129 1182.939 3039.03 6462.78 24108.45 6635.325 13956.94 5098.962 8363.762 29380.05 2918.323 26373.97 19872.61 11001.24 12776.694 5007.024 2384.872 23617.79 10188.18411 2625.159 8428.009 3471.531079 2563.983 3585.992 5834.834 3390.868 3465.641 19609.94 6036.305 401.7146 11387.523 6726.052 17501.98 2961.393 9332.799 6151.634 2737.048 1266.962 4893.424 7292.577 11889.72 12550.55 8202.294 3105.319 3806.15 5527.245 3885.196 2082.6235 6361.037 362.3213 13157.58 3985.68 13071.75 12946.1995 10847.42 10265.17 16701.81 20726.58 234.6259 1721.432 21895.52 5882.734 2452.735 3463.702 7310.585 22428.97 16232.29686 4092.574 15656.83 18316.07 19297.61 12458.78 29153.39 5819.054 15612.23 13908.43711 18052.7075 12410.89667 23717.83 16076.79 9588.618 7855.26 17169.616 11693.66 8451.502 23884.45 12365.05 8891.928 18767.85 21108.77 8665.298 16465.82 66.83628 14801.63 29318.62 11665.05411 29435.48 4378.545 5706.801 15779.02 1064.948 2925.80513 2378.892 3097.902 Aspartyl-Serine 7890.216 28103.59 20531.17 9372.556 5858.766 13338.46 25871.56 18887.49 15166.82 5284.034 31552.72 1994.549 26980.49 10504.32 776.1618 16219.32 10709.26 22767 40421.26 36328.94 4989.094 19919.16 26395.21 8560.571 6929.477 7925.317 1010.527 28822.29 20953.02 17606.36 7162.691 29005.83 5201.505 21189.01 9383.192 8853.976 13761.28 27246.09 24442.805 16473.4 18209.3 18128.22 29418.5 4512.077 31173.21 22980.47 17802.86 6980.069 25324.12 15258.14 19886.46 26225.34 1908.995 26216.96 28347.28 32322.37 5600.12 22873.73 4932.207 25585.85 9502.948 52202.94 8393.759 40039.76 35418.59 15709.34 35892.5 10157.32 2420.947 30925.87 33509.32 7335.668 4738.919 14718.44 7241.19 8886.495 46864.37 24307.57 21642.25 20442.29 5457.177 6599.908 6721.074 14318.99 23339.5 17757.46 10874.87 30259.19 3312.48 20720.17 12975.96 9758.447 8602.267 13858.67 27239.48 1476.489 26379.27 16837.61 22192.26 23424.83 20475.7 4999.322 20616.24 20609.82 12119.05 40312.58 6001.339 22640.19 10884.57 27828.51 10736.93 24445.36 22194.35 20797.75 36186.82 13319.33 23328.23 23017.1 23383.85 9309.278 26507.83 16055.24 14966.21 11264.8 8220.591 12438.95 27242.57 28218.36 11451.52 10733.07 20369.72 26602.14 12326.71 17601.8 21459.63 12950.57 28529.18 18354.38 3962.077 21029.99 20282.83 12727.97 12439.05 5202.084 15179.83 23234.99 1253.52 12291.71 2486.645 2169.005 Aspartyl-Valine 22783.95 52340.17 44789.37 19332.61 7826.533 26443.88 77259.84 91735.26 39163.49 28405.52 41762.44 6580.309 48736.52 15023.56 26049.87 38255.4 28684.02 5408.188 50146.16 51551.34 16430.48 28123.53 38195.67 38352.46 9847.508 35495.82 14635.47 40185.55 61548.4 24201.67 40360.79 44641.74 29401.42 36674.05 70026.98 15208.25 38513.43 53949.97 75668.05 15996.11 23170.49 39347.05 79114.69 17389.34 56110.56 64640.25 41226.61 63643.84 50978.68 88346.85 46211.06 61216.37 26442.41 58845.48 65216.71 50212.15 30125.82 54151.2 24409.21 93386.84 32191.79 85206.2 22924.32 56181.71 57377.18 41452.73 51580.84 7648.952 3792.277 68821.33 38543.66 21008.16 9901.794 36803.6 48363.94 14397.18 58170.53 69852.61 65955.63 51817.66 33116.62 23302.67 14730.39 20223.83 58260.87 32713.41 25747.09 81405.52 32695.38 43207.85 54741.23 55900.12 42949.42 15782.78 68547.38 7639.227 59667.07 51432.07 49716.03 75450.41 45382.77 44822.34 43772.2 55232.55 28794.8 79909.34 20084.74 68373.2 29297.37 50960.86 17726.95 98776.09 74674.47 33769.34 52418.53 28673.22 90807.9 39031.32 89974.99 20811.37 38486.9 53070.33 62414.65 31608.22 41645.44 15797.48 69090.54 53422.76222 78846.37 39115.15 96993.6 39004.89 31779.46 37821.28 97522.32 63862.13 40507.22 54208.51 4877.533 71005.36 66703.1 36895.21 38413.08 23044.99 20791.13 47901.99 35029.76 12623.23 5565.036 16775.12 Asp-Gly-Lys 35611.54 36387.99 37295.18 31498.28 7052.539 30115.81 45662.41 111555 33256.75 46131.2 29798.3 7448.371 43085.24 12740.17 18913.87 11486.11 41186.76 71079.16 27153.86 49168.1 13636.4 27236.05 26716.53 44167.29 7226.77 2540.853 12972.15 47733.66 39708.34 69416.65 35992.73 48902.65 51140.03 26417.18 51383.54 3559.374 36828.41 37177.01 39887.34 26971.1 57491.02 16046.81 61408.43 12250.79 57761.58 36891.83 34424.47 58444.39 34290.61 77475.11 29208.84 41018.39 48233.14 17766.47 35602.46 16468.52 44227.75 48637.69 49360.68 47511.52 53955.66 39692.07 50559.22 52073.08 37331.81 61921.23 34262.64 1678.19 75.23865 30014.14 16484.44 20990.68 8186.173 88463.63 40182.81 821.6855 31937.29 71014.48 34839.92 20874.94 29158.16 31854.54 15230.65 12835.83 21432.51 13374.11 75708.73 64353.1 50815.82 86441.06 50288.73 80710 62416.64 1803.221 66528.38 4016.555 30775.87 35188.07 30994.95 51813.03 39852.82 42666.95 27058.4 63946.74 34669.07 44130.3 18732 69407.93 19837.96 56828.21 17479.18 67936.71 38021.44 80213.82 36076.43 41773.64 40142 43913.79 52674.92 40235.32 70415.76 54724.66 51064.3 86488.77 50543.78 31144.81 69743.08 36904.95 44723.71 37744.8 49263.33 36258.27 25108.47 20164.14 58267.17 42331.19 35414.22 16169.82 5269.027 25282.96 84891.72 31825.72 81505.59 13176.14 12877.82 53669.94 24346.96 5481.14 1493.84 15169.67 Biocytin 11677.72 12035.2 10197.79 10161.29 1179.689 10787.17 15840.54 33448.13 13872.43 14588.58 4453.846 777.9839 15555.31 4368.063 8040.697 5175.317 13400.32 23549.84 11696.57 16757.2 5467.036 10167.86 9343.784 15981.69 1657.878 205.0227 5513.79 13216.81 10850 19199.27 11583.13 14324.07 15413.3 4282.82 14764.16 1162.698 11109.36 15928.4 12927.25 8230.153 17853.05 7082.786 18002 4774.92 18567.64 10775.88 9191.577 15328.39 11278.29 23739.46 10799.4 13698.03 15840.07 4245.807 11199.37 6463.276 13673.15 11697.07 16005.35 18182.36 15330.47 12180.89 16556.87 12598.53 10437.4 18672.68 9933.877 66.32641 2850.697688 13361 7130.482 7441.2 2183.074 20995.2 14486.41 61.96105 10396.93 15221.01 12650.83 6636.816 9286.333 8394.171 5327.693 5209.628 4271.578 5124.084 19969.94 15286.34 14319.71 20264.28 12888.1 19220.78 18440 147.8534 18546.78 413.3679 9376.832 6190.996 9494.418 13285.39 11923.26 12321.31 10227.25 19218.53 8814.907 12535.28 2723.356 18843.5 7434.522 16617.33 5334.05 23926.54 17824.95 21777.49 12858.3 15357.08 14257.49 12593.8 17856.61 13303.47 20145.56 15653.14 15775.33 27722.55 20152.03 9534.681 23098.14 15501.92 37344.14 14003.25 19091.43 15216.72 8374.171 7207.16 17368.9 17544.71 10523.69 12022.44 202.7523 21737.39 25917.46 9900.234 21684.35 4639.398 3584.137 15641.49 8091.96 513.301 75.95466 5334.455 Biotin 12802.41 13728.57 42693.39 15511.7 114197.3 25835.71 22003.61 50595.49 31113.42 67318.92 16020.49 77517.12 17931.14 111401.6 16564.23 17421.67 12182.17 30283.74 22381.13 60908.05 26211.9 11775.73 33663.67 74841.96 116644.3 90960.44 20957.09111 15076.49 48792.54 14992.71 21906.38 20903.08 31920.41556 17469.11 81717.56 16923.43 37449.70556 19954.89 22256.52 27536.07 29322.5 30408.38222 69576.98 108712.8 67324.52 52721.82 51867.42 85907.96 19847.05 45431.11 51267.51 25091.02 19738.23 21364.05 6899.306 10434.61 73156.02 20044.02 20618.04 37790.53 19550.59 25493.44 33495.67 15808.39 13213.07 19049.93 15292.52 16448.03 62487.91 14449.51 6182.463 24344.58889 25683.93 74003.59 80049.79 88173.76 19614.16 82596.97 74664.36 24895.90844 52691.83 17955.93 17124.22556 24640.52 97378.28 26598.04222 83199.97 68057.44 74666.83 103339.3 61531.59 90265.36 90674.5 126200.7 79739.03 93805.08 49340.94 41604.32 27691.91778 69616.47 32773.09222 65456 46686.88 89356.92 34848.95 55304.55 22595.70667 81325.51 33592.93444 59640.35 127119.2 20578.08 10885.07 31822.21 13818.62 33307.74 35186.85 15541 21894.16 49435 30325.61 37595.93 28303.05 36561.74 32381.47 20191.74 24656.39 24990.21 52767.67 28859.52 27293.63 22311.07 14405.64 15581.62 28267.84 26899.56 17557.22 18660.1 80018.93 26286.66 46668.41 13606.63 91848.87 22889.16111 23108.73333 15451.48 32150.91111 125146.5 16426.84 21903.14111 Butenylcarnitine 28040.32 9882.855 7951.453 16403 1950.763 4279.689 10147.182 11876.40589 3861.218 6322.786667 6411.683 7994.077 6765.177 11923.66 1335.514 6817.3418 1797.196 2566.718 10813.63 9567.8589 4730.9693 7403.944333 5948.423 6865.6141 2060.702 4876.006 3294.2725 6996.077 12491.71 21924.52 5172.5017 6801.764 1212.31 23114.84 943.8796 4659.689 1406.31 10115.80075 7975.128 5876.9385 1488.533 5129.3302 20237.8 3051.5637 6551.8 12219.08 753.6168 1168.047 32202.27 4016.607 24211.19 10700.66663 28407.71 9632.158444 15654.03 10116.51 5662.299444 3222.728 16164.54 10893.6324 7982.549875 5108.926 4664.982 9768.437 12004.39 8888.674556 7457.631889 5424.937 1041.602 10459.5447 7768.89 2998.75551 9515.994 20780.2 1420.749 2482.036111 12537.12575 15680.98 4937.885 7946.626 1337.864 20118.08 1686.82 1173.202 3253.85 19412.01 5598.084889 16136.95 11582.54 17273.09 5873.409 4056.065 4870.169 4017.345 13288.82 944.8823 10242.96 2311.167 6386.648 5312.07 9422.076 739.6686 3499.652 4108.478 80.57996 18176.04 178.1196 13446.96 845.5782 11366.01 6439.927 12578.89956 12366.7562 12177.70713 8844.051 7724.2287 10454.3559 6668.237556 13942.5878 2454.556 10394.1784 9852.080222 4703.719 4799.888 27396.2 1179.521 11492.92556 14101.2287 3824.491 8290.8185 11860.0973 10915.914 1477.501 7706.7759 13136.61222 11064.67 10017.59104 5691.985 5447.345 12350.767 3052.991 16789.42 498.4244 10239.17 9757.156 2841.488 3446.13105 10551.43 5905.139 4241.833 Butyrylcarnitine 16074.87 17079.76 24229.56 15429.08 6754.085 15837.59 58304.6 47125.17 33930.56 46814.71 17488.28 9033.531 29615.92 10673.21 17908 19930.01 19008.25 37149.91 18703.96 18975.6 42243.06 8908.039 8868.956 15086.94 2971.047 16746.28 4827.565 40347.54 11505.3 44546.84 3990.422 19838.52 11347.35 11382.14 24130.22 12329.27 25347.95 56210.45 19900.71 12618.71 42963.03 14364.81 46847.79 10607.86 9604.461 14900.28 9868.409 20454.38 12719.17 8197.322 15521.12 46664.85 9385.763 12102.43 31962.22 22445.06 23259.09 38583.34 16518.62 21300.3 36061.74 24462.42 17251.54 47831.64 22971.05 16290.61 29498.47 2631.042 340.9124 53642.63 17186.49 6755.266 5181.746 25274.91 20110.51 2904.338 17403.51 14961.42 13336.02 7021.55 13279.76 18941.08 13976.56 11554 17174.08 28796.77 36992.75 26372.37 13011.6 23212.5 20212.67 21971.23 54667.42 3781.641 30421.61 5383.374 11941.62 13898.67 15034.35 23677.59 5918.008 9181.318 44970.65 28085.942 7121.660113 57298.69 9518.881 48016.14 12939.44 34070.53 7566.935 41412.83 23705.3 17028.62 47433.68 28032.88 13723.92 24069.48 22380.97 21424.99 50308.75 25731.83 31897.69 20222.05 23704.72 6941.402 42639.71 47087.03 16218.7 27919.28 30213.36 24437.1 6912.63 12170.56 37858.2 28092.9 24827.77 30920.31375 4236.135 22987.41 16912.19 12183.16 16631.69 13351.88 3805.775 24269.22 4450.676 2650.558 10953.26 9739.93 Caprylic acid 3225.549 5339.854 1605.763 3289.665 158.6138 3448.664 3060.77 3635.397 2816.528 2837.448 2830.534 765.4597 3384.739 1955.008 2473.978 1884.471 2693.34 4204.289 2958.691 3345.773 2553.736 2587.564 2333.976 2083.744 3752.252 1915.838211 325.1562 3135.189 4541.4334 3018.247 3554.47 3270.765 3655.0992 2702.417 1562.414 997.1324 1597.262 3801.413 3162.463 2334.075 3170.323 1081.253 1273.556 390.0832 2281.436 1032.246 1435.193 5403.961 5181.723 6239.2428 2239.516 2580.194 3255.697 3081.173 2225.24 2295.329 1664.862 3976.426 5532.504 2962.736 3630.325 3342.944 3544.765 2991.162 3382.773 5287.996 2719.92 727.2488 1376.373978 3769.968 3506.366 548.5274 1472.809 4986.6977 1960.944 1475.215217 2957.946 2034.074 1995.684 948.5632 1433.434 4196.5645 5148.488 2051.359 1289.761 757.573 5037.512 5670.8001 2156.11 5913.765 2268.241 6522.475 1784.097 452.7537 1346.959 1643.425791 1408.776 2172.352 1268.625 4011.231 1338.058 1756.22 2057.166 2188.893 3461.573 1196.333 885.4851 1679.545 3055.915 1186.337 5726.233 3449.386 3077.205 3348.102 2942.847 3590.568 3148.333 2919.608 2872.051 1867.499 3805.685 3262.838 3698.339 3569.421 3063.75 2663.274 3874.584 3381.916 3751.152 2775.128 3335.163 3267.905 2972.75 2490.662 3291.556 3471.033 2912.586 2410.559 1324.731 3772.362 3722.604 2936.924 2074.076 1046.266 924.9184 3345.957 6262.662 159.7165 378.5558 394.3848 Choline 2895843 2648131 1532882 2169438 1028727 2622095 2874470 3629918 2224839.1 1643694 1837154 1226041 1866989 1694551 1712592 3279902 1375315 2868185 2146095 2555676 2247177 2815485 1922014 1624303 1075423 1542476 1859785 1866758 1791332 2681402 2012837 2423674 2606394 3845386 2414359 1192375 3928027 2282347 2236875 2284948 3453996 2173357 1886875 1466754 1702388 1876207 1633244 1629847 1994649 3501805 2459648 3538526 2647569 2687959 1707343 1975469 2645552 1990526 2351145 2681025 2590616 1730542 2478574 1659045 2464292 3331361 1758424 1793447 1693957 1615113 1604962 1466550 1841596 2537267 1826030 1246872 2729282 1637254 2320357 1080866 3346939 1539661.06 2207421 1153128 1902356 1825411 2535494 1853878 2231356 1920204 1852834 1369945 2359019 1152744 1862112.35 1236046 1839698 1793582 1402179 2209810 1671660 1779351 2058432 1487580 180841.3 1278089 1958398 3322854 3576549 1760220 1242041 2951927 3023068 2824393 1758218 2360266 3460240 1766875 3332136 1706989 2631175 3316998 2643977 3848513 3274870 2150020 2694381.556 2598242 3349635 3046116 3363756 3587567 1850338 1935957 3474740 2182189 1649680.87 2841310 1068618 2568128 3300049 1736904 1210091 2790339 1663042 2267781 923183.3 1208778 1865606 1265960 Creatine 164879.6 326409.3 298013 465959.2 124966.8 391736.3 326361.9125 348241.2 450532.3 422772.2 278651.7 176598.1 407479.8 152242.2 623466.1 308279.32 169532.1 449285 690217.9 502656.1 327143.6 261809.2 196912.9 307417.66 288108 156357.4 174126.4 232970.5 501685 221899.2 146453.8 253274.8 329918.9 112936.9 250390.3 226513.1 313677.6 424777.0889 578492 173977.5 337265.8 274016.4 473708.1 221398.9 230513.7 255555.1 382480.8 546720 296413.4 462745.5 475550.2 113490.3 320154.3 226875.5 399669.6 330138.1 372534.4 158400 208240.6 462343.8 278897 592908.9 149090.3 310218.1 289109.4 199174.8 351092.2 315790.8 180792 451780.9 239860.6 71615.72 194770.7 295276 319541.2 192294.4 460176.3 407818.4 115384.1 312586.4 478635.7 356861 244086.5 141735.5 225143.5 359357.8 353843.1 314503 167045.9 164725.3 402303.8 251434.2 602407.8 259025.4 259278 242543.4 300707.8 307543.9 306247.9 537849 118451.1 176734.3 240100.6 612688.3 108349.3 256044.1 216950.1 280768.3 144535.5 233132.3 294180.9 525242.5 377183.2 342347.6 246662 386020.3 413605.5 198554.3 170040.4 324064.3 349639.2 514679.2 470469.4 329254.2 659810.8 314856.8 236604.4 410021.37 455802.1 379725.8 395246.2 429534.4333 307288.2 205911.3 398774.8 463767.3 360890.9 719376 391381.3 361168.6 642983.2 166919.2 633772.4 293858.6 206815.1 242403.9 227032.6 213348.5 289861 225985.9 Creatinine 867891.9 665766.4 558986 644036.9 679239.4 1084540 1311702 1368036 1114013 1277194 802987.7 1019032 521535.7 640188.9 715991.1 938688.6 449498.8 1223721 931552 1003932 652163.4 917171.6 632348.2 1262981 800246.3 706087.9 637807 680952.5 1185529 838108.7 590336.4 538638.7 680038.8 497431.8 788652.5 447457.2 590858.5 1320576 972027.3 598044.5 1048131 721521.5 735991.3 453220.6 759058.4 495468.5 680113.8 692885 719793.3 841941.4 1258372 577630.4 751042.8 904987.3 1318007 554444.3 1014160 925364.2 744583 858236.8 767602.4 1053757 1003347 407883.3 688541.8 569194.5 545604.1 468089.2 576773.7 941849.4 503369 476487.9 500545.4 755251.2 1297052 675469.8 881879.9 883224.7 752386.9 539019.8 483684.8 446434.3 713073.2 819497.8 862711.8 952633.4 958526.1 866356.1 577237.6 783466.2 846625.3 1008632 1159529 936518.6 566097.3 506645.4 715688.3 747085.3 644938.2 661616.5 579335 749212.5 974296.2 721233.4 8419.986 784583.3 550026.3 544862.6 535256.7 785616.6 555553.1 1196680 1297944 849555.9 809433.9 1150182 887974 899443.4 1420123 912559.5 1343287 1075682 1180360 1072459 1231722 594291.6 1093327 886695.5 1061456 496912.57 965480.7 848013.7 529693.6 466925.4 1411836 570784.4 647992.8 1079414 802474.8 802624.1 1326266 646887.7 592290 541098.4 731962 719086.6 623114 538932.4 566963.1 407666.7 Deca-dienedioylcarnitine (C10:2-DC) 17240.34 20124.16 18503.22 11682.84 2648.833 20578.28 18595.7 13753.12 22795.41 4681.44 24498.1 1992.541 18564.17 2701.781 17175.79 22318.43 15663.4 16674.67 24218.92 27653.88 11410.49 16710.77 20591.62 9933.251 2398.155 5097.079 4710.075 21494.44 18498.19 10692.36 14797.36 24194.73 8063.662 22525.65 11967.82 7651.753 12565.35 22291.2 35283.34 9065.746 11020.07 14015.03 22640.33 5292.268 20707.84 23083.59 10795.73 9748.719 27620.67 14220.36 15803.16 18340.4 8645.99 25901.53 38611.46 38421.48 5829.34 16681.28 13769.2 22863.7 15474.13 35043.91 15361.62 24375.14 34742.64 22735.6 27607.36 4249.015 978.3208 21310.32 29441.82 7326.478 7374.463 4347.278 9473.962 5717.268 34650.36 16879.69 17936.75 18023.53 11393.91 13148.61 3093.518 15925.01 19481.18 14432.82 4051.481 3822.789 6770.103 7312.472 11883.94 7708.487 9592.524 4405.931 22332.52 2353.121 24950.83 12154.61 15059.04 21369.61 14907.71 10861.28 17993.95 10811.21 3035.884 27800.07 8120.23 14623.95 9071.528 19781.23 3770.656 29868.21 26045.04 13718.65 31520.82 20844.3 18671.84 22065.3 25989.36 7849.706 18593.87 15685.93 15416.24 14419.07 14150.69 12462.81 23072.25 22287.95 6363.874 14650.19 23396.94 23345.03 17405.56 20808.4 19714.02 21244.6 34085.56 17579.07 661.035 21943.23 13570.83 20696.02 4854.4 4188.852 5790.86 31734.46 8633.042 4341.319 4331.07 3777.106 Decadienoylcarnitine (C10:2) 47378.43 102751.2 81020.86 51932.08 34314.35 49168.12 68331.66 65994.34 49691.63 137189.4 39398.62 25350.77 58804.62 55329.64 52683.4 65235.06 74773.61 93603.43 40514.48 55421.17 26974.86 75159.53 27715.42 151701.8 34249.66 23220.22 47869.59 37633.65 158977.5 53626.3 121034.6 41536.67 66968.23 41097.9 116262.1 13555.05 98717.61 64274.01 52084.71 38923.35 49048.3 65478.45 195467.3 41640.78 182909.5 90909.91 102961.7 96792.26 76403.13 62062.79 44417.37 89217.92 33269.41 85172.73 49655.88 51661.92 133450.9 59374.94 76157.7 47966.96 67333.01 84545.75 79266.53 39939.84 88629.74 62359.41 71661.98 13250.07 11866.56 109401.8 55287.19 45166.54 16917.12 160903.3 161107.3 22696.37 52958.13 120422.7 146932 67665.59 92411.66 25219.17 42804.81 39590.89 73229.84 60125.04 160428.9 177806.2 116960.3 84988.01 109729.1 74465.56 128241.3 30869.04 189358.1 19168.44 89720.59 125150.8 77588.62 72516.08 110579.6 186171.2 132659.5 147046.1 76756.16 87602.8 55413.28 125767.7 31033.32 114703.3 40212.6 75603.25 94018.85 73562.82 58638.61 68837.57 70467.74 65866.51 55095.99 97382.68 111149.5 91804.49 106285.4 85253.3 67412.42 54711.39 114309.5 93289.39 44975.85 30551.33 95871.36 68222.44 69132.09 47157.72 60402.94 82169.03 62756.4 102880.1 32737.08 93370.29 63016.88 53556.59 121711.6 70015.78 46425.47 81413.48 45820.58 29662.95 7677.313 38493.12 Decatrienoylcarnitine (C10:3) 55067.28 96688.62 35869.66 34445.85 2593.128 30616.84 58435.89 67423.42 38004.76 16096.49 53660.37 3917.041 70246.34 11643.76 29586.41 62441.94 30084.05 51437.31 85408.38 113911.8 29565.66 29072.7 71481.68 27669.18 2663.261 13846.32 8702.694 53791.37 46988.23 44244.71 37779.75 73928.15 12589.07 45744.52 27633.81 31703.54 39144.22 45698.61 114996.1 35513.99 24419.41 38882.37 71174.17 5795.028 69233.46 65566.25 21731.29 27806.57 80177.6 48924.55 51118.65 117057.7 35476.62 63851.59 55412.91333 90112.29 10731.93 44066.73 59647.46 70733.31 57342.67 80964.69 42197.66 72368.66 81257.73 81884.61 91976.55 15924.39 637.791 100256.2 49809.16 16481.89 27026.21 20906.34 29161.45 16312.81 76209.87 62233.35 55896.48 54691.98 17551.23 85253.99 4871.942 53707.52 34553.35 31643.43 15045.14 77227.98 18348.87 23526.84 39546 59684.31 33887.38 10047.66 56953.72 2122.29 64793.19 49952.31 40642.37 66768.61 47021.08 14295.71 44586.33 59460.5 9489.364 99393.26 7336.294 91008.05 22074.52 42213.28 11200.56 73006.23 70649.69 76943.78 69911.61 41605.05 79397.21 42630.52 88069.68 19433.97 35598.47 65761.86 43742.79 40745.66 29245.71 34046.96 91086.98 67133.94 76259.57 87410.09 38937.91 59032.6 27948.88 37835.32 80711.5 71958.26 63294.11 35220.47 3074.925 65629.75 70505.8 40686.07 18198.53 8460.492 11626.65 59309.84 12080.01 6232.907 10470.01 9553.934 Dec-enedioylcarnitine (C10:1-DC) 27651.47 67036.02 41238.53 30729.62 3666.444 48891.3 51017.79 53622.277 78641.1 9980.829 28415.149 4927.649 33832.423 5060.234 26961.83 44915.38 34266.43 35235.73 34178.31222 44504.111 23352.99 32183.05 42783.18 13640.09 4213.497 6088.743 3986.67 48494.13 47522.44 21172.38 22282.78 51323.75 7175.015 45104.09 19361.73 17013.9 16936.46 52577.30667 47689.495 24160.96 28016.88 20578.76 66957.47 7476.876 21990.67 50631.22 13459.59 16416.77 59259.17 28073.9 41700.63333 83446.08 19494.74 58418.31 51707.72 41291.264 6625.453 45963.02 25182.83 55961.27 27599.66 47608.904 22618.06 33979.44333 73061.2 48953.66 36322.491 8504.966 1656.376 52001.796 34092.387 13235.66 13248.63 8928.226 17222.38 6938.349 42442.04 47284.75 21596.55 49669.19 11697.69 15619.72 5148.82 37142.21 15980.89 17196.92 22232.64 54055.92 7342.253 11891.47 25630.53 11235.67 12747.5 5525.788 37076.02 4349.111 46116.11 21725.28 39412.05 26238.96 42618.87 11959.98 26670.96 18834.92 13194.32 83112.17 7880.596 39378.37 16484.12 49073.17 7265.163 63809.13375 55954.335 42917.8 40860.202 41129.6 39912.26 63096.68 59176.16667 13489.33 51955.58 79841.84 43000.85667 46912.63 59390.3 26377.37 57240.34222 54796.59125 30424.18 38459.22 48002.467 55046.13625 37312.94 37055.4 60631.833 54165.496 85782.81 40897.01889 2516.376 50615.75889 35916.12 48687.8 6160.158 8095.225 5869.584 66606.32 12159.12 3184.291 8627.693 6714.645 Decenoylcarnitine (C10:1) 86240.82 95208.75 24180.48 79439.77 3766.55 29105 93874.59857 95035.47429 46188.23 17329.3 36085.29 4096.122 104490.5 8658.283 58380.76 70997.3 62296.33 110839.8 53461.49 57489.91 44392.99 64626.1 61024.39 22638.65 3933.634 4971.029 5530.37 37714.71 41752.37 78603.43 60167.71 47101.63 11652.61 45338.33 22594.87 15778.19 17296.17 150305.6 74783.08 52123.34 55026.39 15609.88 47015.78 6959.952 37852.42 29826.38 17004.83 23160.91 82198.29 77464.1 118941.1 96612.05571 24557.91 133469.5 102911 93417.05 16857.91 106907.2 79997.54 85710.08429 71462.9 124804.6 60409.42 47795.55 93363.01 114946 91519.55 17152.48 1055.32 85440.86571 99491.21 9709.675 19055.13 21785.5 31963.43 6616.933 104207.1 35521.51 31564.03 20476.08 15226.67 52262.63 7556.558 54337.84 20361.8 14679.37 17780.63 39752.3 17016.65 22100.12 35881.74 22309.98 31147.97 7737.693 33427.94 3027.988 28553.92 23463.82 19572.92 30386.77 25396.21 26056.29 25076.87 29393.67 50354.53 45767.88 10721.05 39146.65 10314.05 27345.55 7756.284 82735.6675 82688.6125 72423.92125 81878.93 81674.92 138583.6 77201.02 110818.6288 11530.86 109128.9 109137.7 119552.3 76783.78 63204.05 47122.79 93162.05375 98143.31143 44534.27 56697.76 78702.91625 124596.4 41811.33 75342.68 89967.62286 111615.8071 105459.2 95309.8 1737.684 91936.89286 123053.5 65473.94 18918.94 14981.53 8280.83 113754.5 12819.25 4009.018 2689.777 8836.621 DL-Dopa 63251.08 55712.73 20971.33 79716.47 26293.12 92269.63 63855.33 84686.64889 79855.71 24102.68 49031.1 23462.28 59698.9 31959.05 53205.08 36826.36 50989.32 109905.7 69506.63 101042.9 47999.49 58002.67 56817.17 64702.47 27226.55 20598.76 51994.98 52390.79 32253.5 69716.51 77151.23 31299.87 50345.82 49542.22 56434.2 30999.94 58542.3 85514.61 68967.98 54684.33 75539.88 47968.7 47773.01 34409.9 60896.96 39846.25 39748.03 50183.73 51688.92 103827.8 72036.95 92546.97 78135.74 71499.09 29173.31 61033.71 66238.7 77113.48 89991.44 102003.2 54611.18 55770.35 86053.48 45041.69 43663.79 70428.5 43449.46 26024.08 18599.31 103004.9 52534.21 38977.3 56600.09 51012.05 57203.55 24411.21 61908.63 56765.55 58131.39 37682.7 30805.01 44780.32 35654 67601.6 47885.65 33409.98 59852.17 48512.45 46162.31 64376.18 40592.9 53736.94 58760.3 31284.11 44524.15 22132.62 38119.86 64952.79 42643.1 44873.14 43280.87 51293.36 20609.28 69307.07 20281.09333 43014 31810.48 48727.29 47672.31 52632.96 39791.31 93292.53 69926.48 70591.532 46979.72 64767.14 66412.17 49521.78 86109.34 34479.81 113173 62592.75 82352.7 57403.01125 94535.57 51346.87 79152.8 82909.06 60564.88875 76833.08 123528.7 95189.21 64340.82 24043.3 86531.4 96583.9 60707.9 73654.37 25686.43 69596.912 74471.3125 64172.97 61981.63 42491.79 42201 71041.44 44705.94 29849.01 30957.13 44095.44 Dodeca-dienedioylcarnitine (C12:2-DC) 85970.61 43374.29 8825.347 74573.05 1378.899 74352.91 138616.098 102549.7 100879.3 9488.937 70410.04 4052.461 199512.4 4764.134 130868.1 65765.18 96921.18 145416.4 155297.1 102676.3 60181.44 28666.76 165487.6 5800.54 214.8601 4548.921 3318.208 168125.7 9592.898 139698.1 101527.5 138404.6 25322.53 84198.6 13195.55 55289 9111.59 19627.02 101518.5911 84083.48 72543.91 12176 7173.585 6439.124 10403.96 10480.24 5624.003 6858.235 204065.9 214914.1 151559.5 98481.3575 89788.79 135043.6 187315.4 49266.4 12659.56 102816.7 109047.6 149921.2 217110.1 124645.9 108121.9 95271.72 197617.6 205147.9 167377.9 17905.62 1108.807 65332.49 55143.02 5120.309 33818.98 9339.854 9257.972 12617.095 171936.2 10671.29 13419.18 8549.309 7290.412 109975.2 2390.317 36235.35 9020.45 12174.52 4653.788 12152.57 5670.126 7506.486 7419.964 3666.859 11696.19 1387.801 17530.38 1546.717 19644.06 9245.248 10458.87 14398.54 11889.82 10831.67 9626.527 8058.303 81854.6 12938.79 8450.032 6405.462 7140.118 8145.141 4651.725 128601.7 157709.5 120799.2 217516.3 176489 132724.509 157630.7 142727.4 18234.45 49330.69 115003.4757 98147.03 78435.05 81526.75 198712.6 139548.3043 74152.87 83075.825 106326.0989 41929.99 192347.4 63991.87 192951.7 159716.2 52131.68 182607.1 26698.81 828.8268 82482.48 149339.7 66869.13 4405.104 3970.713 1265.9 86068.4 3951.224 2022.363 20424.58 3471.396 Dodeca-dienoylcarnitine (C12:2) 4767.342 2458.507 5410.9586 2835.366 3851.729 4499.6299 3182.718 888.5908 1479.786 5274.3068 4201.2992 934.4917 3519.732 10993.17 5662.515 4148.675 3212.558 4440.688 456.0697 1084.217 476.0139 2081.097 212.3204 5842.9387 8370.979 4436.158 3429.409 5025.657 5909.103556 1642.403 1879.043 210.5311 11512.54 3684.9232 12632.02 1861.02065 5833.1942 6227.259 702.4645 903.0886 1189.742 4973.6797 6806.462556 9339.217 6104.54525 5771.0824 4214.089889 8177.9 2910.367 1707.113 2523.909 2528.092 366.3808 11574.8 2569.449 3044.522 4788.2057 2417.575 2565.287 893.7255 1671.348 2926.302 3107.427 5436.4101 1122.487 2990.104 4339.93 1229.960621 2159.388 9158.471 5992.648 4620.853 1572.12083 7218.986 6053.378 2308.306 5978.701 12140.89 6177.472 4738.789 4159.7861 317.5704 6207.66 855.2464 14499.99 4127.5607 6230.0491 7715.913333 5369.6 7186.041444 4948.3809 2695.213 6842.3171 8971.818 6442.3311 856.8424 4626.8744 5608.765333 5346.768 7364.906 8433.548 4873.5749 5246.1172 6399.283 2345.271 10342.75 5600.388 7182.771444 2687.25 11429.82 10826.14 4774.786 4523.859 2969.442 2485.034 4130.335 3409.852 3602.694 1675.071 3862.322111 3219.836 4591.231 3850.513 1422.432 1692.532 2833.001 3114.189 5112.032 886.2592 4222.83875 4477.95 5564.735 2068.092 4799.837 2696.267 6551.555 4855.814 643.9812 3591.511 2398.849 2281.148 1452.185 10625.56 8111.712 2598.648 2721.409 2103.638 6914.395 1836.889038 10632.98 Dodeca-trienedioylcarnitine (C12:3-DC) 97160.74 53222.16 7282.886 60697.95 1804.552 45226.89 163686.8 73160.14 105315.5 3215.838 60642.29 1349.889 94144.25556 2116.818 76924.56 58003.93875 148299.6 102378.9 92503 81310.59 37042.8 39188.91 62525.731 8111.528 1693.492 1698.609 1519.462 135857.1 17175.6 110508.9 76229.63 113518.3 7026.837 59273.82 8712.544 34897.49 7732.884 57345.07 162898.9 88166.02 46356.91 9396.032 12288.01 2913.242 11622.95 12203.12 7278.011 5807.184 90738.5 154511.7 143244.2 97289.57 64923.07 133503.9 75283.72 31509.3 4074.315 80082.71 62326.334 115487.1 96294.82 65464.48 63599.53 73340.84 106255.8 91257.464 132420.5 22561.11 3550.526625 144616.8 75904 3595.21 20866.63 6427.723 10420.36 2131.343 150663.5 10830.69 9989.003 9441.835 8888.494 48901.63 3699.155 35741.15 3605.323 4882.359 2253.204 13752.14 4810.238 6497.251 9017.732 9953.255 11674.69 3975.758 16191.98 2259.625 10715.7 10074.57 9169.231 13807.11 9172.936 9599.488 13760.27 12103.29 46640.78 10849.81 4558.215 9119.663 5104.81 9241.626 4323.474 76358.65857 80758.23143 163016.8 159377.3 76859.38 112406 100324 75501.36 3828.712 54821.19 96779.38 87496.67 33596.42 44282.94 126809.9 79584.52167 100820 65267.92333 161062.7 49667.08 108208.7989 34845.51 111359.5 121193.3 46714.22 78685.473 42807.85 872.6579 75071.82 96198.15 35038.4 7643.56 5898.169 4744.115 103728.3 6686.68 1786.589 14216.17 5981.382 Dodeca-trienoylcarnitine (C12:3) 26890.07 40449.34 11164.81 21335.37 1666.482389 22317.35 34470.66429 23570.93 42163.37 14795.33 18837.16 1497.292 31501.81 5980.832 29228.78 20599.79 16296.29 30848.46 23036.33 28313.96 13354.59 35204.86 7462.798 11622.23 2429.109375 3862.2408 4686.287661 11651.43 16647.53 15824.76 14434.64 21022.84 2406.355 22927.81 3263.401 488.7889 3047.02 59590.63 29149.72 22611.66 17486.31 1299.411 20761.64 335.7163 13099.92 7872.883 10526.4 3366.261 23098.69 21853.58 35697.2 22882.22 13135.19 25070.714 30065.06 31330.83 12860.1 29489.17 21807.79 33088.42 26741.6 38719.51 27592.37 14755.13 18832.54 26111.76 39164.72 3925.743 1524.440468 22731.07675 39635.08 5379.2054 2265.325 16634.83 12132 2918.42227 56089.38 6207.409 10206.8 3931.718 9176.834 4406.699 875.5864 11514.85 2762.525 2390.849 25611.69 15133.06 9005.545 969.6413 9320.876 3053.359 7381.989 3337.89551 20156.31 2078.967467 11198.45 6127.758 2780.551 2902.078 11380.46 20062.2 10365.5 8783.801 13509.67 9493.341 1422.769 11640.01 5529.0734 9491.741 338.0102 55856.29 40812.72 23482.36 38798.01 46779.33 38710.69 28884.33 40879.12 20072.66 35838.53 29856.26 48189.45 28175.97 20571.01 13854.79 22888.8765 27594.9125 12558.4 19004.11 51660.47 37141.47 17491.43 55602.01 47453.34 51985.05 40449.49 30972.55 2654.289889 41082.92 31581.24 27647.27 7672.792 4577.195 67.90281 32274.22 6551.3525 3145.49249 1172.242 3977.10015 Dodec-enedioylcarnitine (C12:1-DC) 12669.19 10116.4 17002.44 15291.15 3652.289 6126.006 10196.64 16107.58 9150.711 16423.85 3970.961 2916.523 13136.56 5213.56 8693.307 9905.994 9210.13 20232.09 2136.07 6415.359 5567.654 11272.19 6907.096 25853.25 3848.049 2857.025 3634.752 1887.086 28346.3 14364.07 2690.527 4601.573 15267.77 4816.385 34542.35 1970.962 17857.47 25830.67 4713.688 6235.44 8235.655 21190.24 24771.31 5991.28 18453.93 24081.95 20104.9 26922.14 12510.41 11729.69 13067.23 25238.73 2137.694 20383.65 9148.197 12044.46 15816.43 17531.54 18262.8 15451.21 11457.16 12939.75 6096.302 2556.211 9597.101 15826.53 9681.911 315.2372 3564.624056 21681.41 11726.26 9254.317 3771.818 29071.3 33732.41 2179.799 9171.349 30569 26725.26 19196.26 21311.67 6510.409 6859.985 9443.179 21964.93 9224.094 17802.94 24997.63 18124.57 29326.92 24570.7 30790.11 29560.31 6414.061 30606.1 1701.139 20216.55 26428.38 18401.53 38693.12 20491.69 29135.18 18871.67 31912.79 8022.358 21937.32 10195.42 28183.07 12371.99 15016.6 6315.438 21136.57 24019.53 26267.92 11156.06 12036.23 21273.28 8188.851 18746.66 9623.515 19400.2 15593.8 16337.24 8846.611 11805.66 6946.281 30821.42 20841.9 6016.828 3739.751 22226.24 20573.09 5912.252 9349.436 19725.74 21537.98 17842.41 10306.32 466.2132 34305.44 18063.13 8614.463 29673.02 13977.86 8404.343 14388.59 24668.16 4846.887 3529.549232 9993.906 Dopamine 1170371 894380.8 962912 1324150 345585.8 336148.5 903695.9 2028280 546393.4 1314006 262433 275424.6 1054223 561766.9 743796.5 928492.8 1021165 1706741 356226.8 544114.8 710647.2 803606.1 947005.9 1746778 341177.3 252279.7 543128.3 330771 1500531 1326145 876218.5 469836.1 1186979 453686.8 1348318 352042.7 1486972 1299789 527834 825216.1 1049836 857238.5 1230909 619605.4 1676641 1006352 1228818 1569932 1083479 1727360 1095231 1832731 346822.3 1084457 909024.3 742236.6 1250908 1213877 1444187 1397345 1071916 981919.5 955472.2 272570.4 987121.1 1533604 859243 238701.1 189481.9 1458453 961140.9 759313.9 457865.7 1592791 2264153 395926.7 732132.7 1414274 1479966 835516.4 1157242 880645.3 801001 615182.1 1136479 771304.8 1155304 1299660 1382359 1801512 1340082 1458880 2340106 574075.2 1459512 350228.4 1024390 1509958 1120420 1409506 918539.4 1579494 1494050 1807917 1065813 1069013 760565 1478112 814228.1 1186821 696938 2172149 1685818 2102633 986395.1 1269296 1596553 931217.6 1573414 704833.9 1634454 1593412 1277176 1238638 1430527 905286.2 1535857 1275404 1057139 590157.5 1621220 1684792 398197 775218.4 1340148 1466777 936206.9 862297.9 297626.4 1895308 1890745 975132 1663232 873321.4 712577.8 882913.1 1021216 384806.8 82464.38 870041 Epinephrine 8758.372 11975.16 6555.959 2197.751 1898.781 2111.181 4739.752 18452.05 2980.906 5864.999 2404.213 997.0926 2813.983 1754.518 5440.574 6014.283 5762.649 13150.05 3426.741 3563.875 2156.297 7628.572 9268.069 6809.268 1480.751 1880.41 2185.789 2677.479 8373.929 8819.424 1961.805 11580.61 7604.306 2728.493 9774.867 2652.523 6469.638 12189.09 3851.429 5003.502 3525.079 2951.783 15094.58 2103.014 2038.003 6632.146 5990.45 9016.036 3235.47 11153.69 11834.16 9962.499 7989.082 11737.96 12453.74 2981.424 5363.584 2823.936 2896.648 14092.75 2928.386 12687.69 1396.939 2703.738 3440.566 3052.978 2559.073 675.8664 76.82192 10659.18 2827.254 4283.946 3217.057 12147.1 7901.204 2570.304 13472.5 11292.51 7038.082 4554.26 5511.781 2012.211 1976.74 2637.339 9410.038 7021.175 6553.373 13377.67 8574.961 11175.36 2041.567 11959.33 9987.18 1086.711 15385.33 990.3036 6206.446 8232.587 9325.733 10682.22 14445.72 7182.526 7954.107 7443.853 2449.018 7133.231 5671.582 11697.91 4548.406 6065.822 2576.026 9035.5996 13613.21 7049.2292 3198.973 3444.221 7724.496 2668.328 15079.87 3256.786 12422.12 13740.68 13367.74 15576.32 11033.58 4741.378 8319.412889 14630.46 13152.98 3417.021 14639.91 9459.841 5467.137 5547.472 5260.936 4864.395 3006.929 10282.88 550.263 18258.73 16170.35 2711.586 9456.573 2419.998 2230.039 12462.33 2240.13 1419.127 533.7529 2690.204 Glutaconic acid 10055.28 16047.64 14058.6 8474.533 1406.912 9398.875 7459.704 19136.2 6974.623 7465.23 12743.05 5918.109 11235.6 1581.806 4100.595 3049.074 6786.71 9556.265 13533.6 19456.47 2748.054 5388.21 10215.43 13986.67 5582.756 2313.885 4100.843 17777.6 15187.13 11189.52 7537.607 16117.74 7455.495 14210.26 11841.23 12202.28 12391.52 9052.642 23553.53 3749.144 4317.997 7996.046 18462.72 2985.062 24544.92 15635.43 6909.729 12501.3 16584.53 14092.95 4995.117 7035.812 8714.867 7679.219 15325.01 13554.88 12156.72 7584.876 9804.706 13018.94 4435.833 14311.31 7572.411 16498.86 14299.14 23716.42 11957.77 250.3264 2527.058286 15617.55 10161.62 6246.825 2300.277 12358.83 12011.83 2068.512 14512.62 21035.14 19176.46 9855.255 6566.337 2923.825 1894.336 4899.37 12262.38 7466.751 9863.59 21327.02 10477.23 11638.31 15115 16766.17 13660.15 953.7203 16105.84 1454.47 14896.56 12965.52 10596.45 13975.49 10274.36 8855.323 12723.03 20546.14 3429.568 22553.16 3344.109 23478.47 5765.165 22766.7 2803.587 13888.2 8041.018 7842.942 15793.21 8281.659 10040.58 13908.19 11453.15 7819.498 8697.734 8813.297 7355.488 4616.328 4272.861 4454.011 10417.69 12331.31 11217.11 9052.814 13901.85 5652.25 5475.788 6028.663 16866.18 13076.85 12725.05 9254.071 7282.729 21292.5 9687.86 11207.69 12182.26 3491.244 2722.794 15843.03 4803.032 2945.057 1380.071 1945.315 Glutamine 29145.04 23176.83 18269.82 17076.02 17362.51 27774.45 45790.35 34889.53 44470.29 22712.61 17694.9 16426.33 20775.15 19045.24 17838.66 26209.57 20566.51 34487.09 29960.32 38347.14 22883.1 18158.39 17584.91 26698.67 16025.94 21706.03 26590.67 31874.6 23304.28 16370.92 24592.55 23502.82 22077.79 21524.27 28219.32 20345.52 32624.93 36485.27 30340.11 22129.15 33710.39 22859.68 21576.14 19532.42 28228.3 23140.12 22382.66 26882.59 25552.48 33535.8 43652.68 30793.05 24916.52 40202.3 19930.9 16225.89 23656.75 23679.55 21758.61 42271.06 27302.37 26876.21 34271.21 26228.56 20929.85 24383.85 25269.91 16752.91 19860.35 34116.42 22135.21 15759.07 18707.57 28513.81 28857.33 19727.49 29114.92 22980.06 30202.12 18389.56 24615.03 19978.31 16362.73 21715.27 24283.77 27273.65 22928.69 23694.49 23928.91 20797.36 28060.57 30768.9 25389.26 22541.85 20938.8 14089.36 23235.71 23349.41 19015.62 20826.93 18066.95 21222.21 26243.56 32386.69 3912.501 29343.76 21885.58 26464.04 24839.42 23115.99 20032.54 41202.046 35520.499 35895.318 22432.75 41648.83 41491.66 25013.93 41261.83 27648.81 45666.03 36431.98 27622.93 35845.8 44427.6 21028.97 41335.21 37194.08 35906.16 34839.73 31981.91 34042.587 26919.65 28230.08 41222.88 21528.66 24197.09 32591.73 18633.05 29681.05 41547.49 21376.13 22685.62 18915.05 22629.97 26362.59 17374.77 18850.18 23758.71 17444.85 Glutaminylcysteine 1858.034 1564.258 4424.003 1805.078 4015.319 2677.498 4729.71 4584.623 4331.399 4336.723 1371.855 1764.708 1402.591 2882.854 1429.725 1814.476 1389.122 4314.395 2775.801 2687.148 1673.145 2743.464 2256.289 3252.006 3670.547 970.7037 1766.651 2760.64 4497.85 2462.106 1552.767 2426.428 4936.054 1770.031 4218.593 143.8758 3319.824 4550.791 2888.726 1655.976 4705.971 3013.693 5438.756 4217.034 2246.269 4966.472 4984.11 7458.688 1609.61 2798.629 4446.229 4124.231 2454.788 2043.563 9069.472 1247.653 2504.762 2473.413 2198.129 4313.777 1659.453 2041.104 2398.779 1470.925 1698.184 1832.083 1024.02 151.6899 1572.10858 1523.327 563.3495 4653.672 785.3148 6137.376 3497.438 484.1798 1677.782 5137.135 3665.615 4373.821 5472.891 5029.307 2933.626 1326.705 3575.446 2593.214 4207.849 5250.096 6197.592 7401.011 4797.225 6443.751 4022.259 1488.794 6148.12 2812.605 4571.462 3247.236 5440.811 6683.286 6027.933 5701.797 2377.131 2736.796 2629.999 4466.179 5477.591 5043.639 6010.794 3959.532 3910.615 4734.629 6921.069 4871.261 1200.103 3043.911 4096.807 1062.312 4818.299 2899.222 4358.018 4409.83 4909.596 6374.575 4980.619 1294.375 5988.338 4189.588 4720.542 4281.085 4617.717 4110.401 1726.286 1309.596 4134.398 3442.634 1855.439 3048.574 1774.5 4105.65 5042.629 1937.452 5420.976 2356.97 1918.472 2712.947 6840.464 1254.529 83.77634 4400.109 Glutaminylglutamine 38441.38 25978.95 22667.24 32157.66 7097.264 27350.27 32642.78 69556.06 43559.32 20830.21 13736.24 4376.455 25171.8 9216.823 18479.29 17660.85 26835.02 55956.43 16644.07 36814.1 16124.1 32346.94 33876.81 29975.95 7822.783 6829.375 12048.72 33677.11 10560.35 39911.88 23884.81 39796.96 25986.22 16414.15 48656.02 6445.777 28598.45 43371.32 27304.61 20482.77 31269.79 21771.31 10101.41 11801.47 22510.8 9519.599 22126.38 19491.7 22291.27 12584.16 24223.18 55668.72 39633.2 19588.87 29336.12 28058.67 22891.58 41505.02 38514.77 56724.98 27307.18 32966.79 26407.33 18734 25055.17 38840.25 22383.62 5297.286 933.8056 40465.05 31525.84 16221.04 15449.7 39591.53 36661.55 5297.824 21896.68 12103.97 13476.77 17893.35 21173.92 37488.9 9195.724 22601.09 36919.37 16409.41 22205.52 33459.21 30506.75 49988.3 27511.69 18591.8 40723.53 7493.466 31526.45 5988.187 22501.97 33355.88 22125.46 18339.71 23945.71 11540.85 22313.62 11502.42 30606.07 26939.61 16231.39 31753.79 25332.08 22120.08 13022.44 72659.18 65684.8 37186.87111 29832.37 31168.26 50507.26 23964.23 60201.15 14820.48 57920.53 13454 46885.29 62095.67 45134.1 13162.54 53664.19 40084.71 62715.57 37011.64 55967.05 51793.69 21093.71 18018.74 54880.44 54927.08 29083.41 36202.01 3788.985 37257.995 57806.15 29367.49 32952.91 15012.93 5083.808 45154.87 30755.6 7597.733 4872.32 14466.85 Glutaminyllysine 11929.43 13593.43 20171.88 12074.37 3831.766 1854.766 26167.6 21593.93 6809.384 10863.11 6644.283 3760.511 14422.4 5758.807 7637.015 9385.693 7027.024 17047.61 9847.85 10019.72 5895.357 9607.332 10889.63 19315.46 4465.779 4652.301 5822.446 6267.012 22421.33 11059.85 6882.323 6256.05 14010.84 8224.782 30140.01 3288.917 16817.32 25839.24 13867.09 7013.428 10286.22 17854.61 24268.39 7508.675 14478.92 22497.38 16866.16 33646.28 12765.48 10325.87 20035.8 24964.06 2581.184 15655.34 17031.02 14776.62 11366.61 14049.47 9136.468 31655.21 8051.606 19590.35 6044.78 9492.078 14357.51 14134.32 13331.76 2156.795 1766.879 18177.01 14462.93 12091.54 4149.759 21582.6 25580.52 4071.336 15473.94 25987.25 24633.26 18739.96 15541.84 9407.685 5994.766 8629.102 23695.1 12840.84 12374.86 23145.7 16876.94 23995.17 22277.08 26018.99 23215.87 6511.46 24786.54 3101.996 20010.23 20815.4 18710.23 31539.67 20142.26 18387.16 16143.61 20324.09 7094.941 28611.29 11591.28 24606.75 15465.2 15940.79 6988.175 30414.33 31426.07 23699.62 13333.46 9981.578 20490.97 10307.38 30954.43 8112.785 16823.06 15472.13 16504.89 11652.15 10936.16 5622.613 29828.6 38983.56 5355.648 11565.58 25079.73 18240.51 4004.277 9533.267 31374.18 28959.47 16629.89 16478.33 1222.212 38127.03 17779 10189.25 18593.14 13377.3 8287.969 15015.71 19996.84 4880.294 75.82033 9230.518 Glutamylalanine 21844.17 21099.28 33206.94 19730.57 17556.48 20112.1 34377.95 23638.64 41232.3 20689.5 17835.48 9765.18 16940.73 16423.02 18591.97 21240.57 12652.02 29118.5 22062.73 24196.61 18422.21 26207.87 22838.58 37027.54 17132.79 24676.79 26699.78 22964.86 38699.39 18279.41 15908.43 20586.57 34895.56 20872.77 35341.025 12284.06 43079.48 43491.3 25052.01 15606.06 23455.29 46256.63 42464.11 24997.72 35662.8 41024.19 38104.91 32509.04111 20405.71 19406.13 32100.65 27853.02 19337.11 22254.28 26118.4 22870.04 28335.6 26002.38 15509.85 50652.41 14873.65 28798.11 15163.57 19781.06 25522.99 14955.83 17134.98 9149.561 7567.724 18262.52 17877.46 24552.68 13126.96 24975.82 50891.56 18939.66 19866.47 32955.02 52838.97 37257.96 38417.76 20783.72 17173.42 16917.68 25201.088 40672.57 17975.23 38906.69 31183.47 51423.33 29049.56 27849.31 39069.35 25076.07 34198.34 16353.34 47614.82 41309.77 40201.89 31657.016 38125.67 44747.27 42116.34 31889.46 22407.01 53201.02 31745.62 27345.47 37877.48 25200 24596.28 28403.26 30591.1 27420.91 19883.02 24838.54 32859.02 14795.54 41134.08 14648.75 34369.86 29908.48 35027.23 33659.09 30442.83 14949.54 48882.87 35097.8 17503.59 23602.34 38848.82 29475.72 17548.76 19604.55 38398.44 39691.6 22417.98 31780.86 9094.401 31708.08 29363.89 20876.92 24574.61 30015.48 30602.04 23429.58 51226.95 22508.82 7864.016 24928.26 Glutamylphenylalanine 6006.673 10468.75 4715.574 3273.336 500.7747 7111.015 7178.653 7671.092 7772.002 3526.105 7537.104 410.3862 5216.326 1556.475 3705.083 5466.305 3779.304 6252.686 6957.925 11897.06 3608.473 5378.042 6121.143 6379.504 748.2315 1126.675 2027.717 9117.411 10355.67 7381.124 3957.149 8119.602 1937.236 8771.412 8032.726 1742.539 6908.629 6081.429 15609.17 2594.076 6053.477 6754.572 9931.048 1873.612 11211.85 7177.218 5750.344 5734.59 12468.48 5882.918 3912.993 6272.202 2709.026 6735.739 6821.254475 10283.86 3243.282 5361.265 3506.699 10690.56 7347.315 13822.15 6289.567 10679.48 15953.56 11099.66 9342.684 327.6576 1084.619014 10369.35 8239.755 3104.009 1732.511 8542.084 4589.044 2653.049 15382.84 6746.044 9017.588 4045.335 4287.508 3824.278 1126.417 5044.38 7364.732 2525.435 3891.275 4557.945 3653.53 3200.632 8340.389 8068.806 7186.139 656.2788 6932.193 1444.770806 6802.64 7155.546 3182.164 9641.679 3878.649 3333.438 10311.22 6971.015 4008.939212 3969.076 2137.489 8040.647 2745.883 7475.734 1999.97 8135.909 10122.38 4754.579 12205.56 5754.709 7495.916 7314.198 17065.61 3550.428 8922.168 5106.668 5826.26 5499.2 4265.646 2973.278 7287.819 9200.82 6966.746 5607.061 7356.807 7847.031 2557.352 6386.375 8977.283 7712.971 12509.04 8106.567 21.73882 8248.976 6452.34 3224.302 2649.869 1725.863 4430.881 8245.677 3256.466 1095.41 1443.435 1020.814 Glutamylproline 15787.81 7839.215 2146.726 4184.315 1030.080661 8793.778 9724.721 6377.822 11845.22743 7462.072 11032.9 2740.536 10014.16 4917.07 12135.8 14959.07 10110.66 19754.75 5842.626 7301.052 7334.746 4279.327 3287.632 5007.284 975.1160556 1902.625578 1652.477 6427.548 4045.0381 3112.369 13446.16 7683.041 5806.1693 5428.094 5176.55 925.3876 4993.600501 12029.84 7397.723556 2439.118 15583.97 1671.977 199.608 2413.77796 4573.343 799.3028 2920.975889 6462.129 7858.092 8535.395 9901.826 8541.451571 6300.297 14216.08 7112.324 10762.27 3479.153644 10565.01 7183.498 9649.346 10767.29 9553.334333 6337.125 4841.495 4552.5 10518.68 9944.599 3766.229 1624.194734 5872.599 5203.338 62.55338 1413.997 4786.158111 4505.188 2366.963 6065.924 879.7665 1572.041 2671.1418 374.3942 3935.731 1599.759844 1437.639 10967.48 834.0051 4553.247 1841.257 385.8328 3923.023 716.4041 1672.038 1382.009 383.2598 865.8176 1099.590405 4614.243 2347.027 2995.78695 5251.298 173.0007 2885.788 5253.362 1548.415 2011.089008 3590.014 3459.1687 158.4675 64.30149 2390.284 2546.40692 10385.62 20927.38 20579.39 10633.4 21245.48 8334.304222 4503.217 11257.89 14832.66 9247.431714 9491.486 19745.99 8268.22375 8923.881143 7055.391 12176.05 19684.37 11995.95 8397.43325 18078.56 18891.57 13098.33 15787.9 8763.547 7357.91975 3686.554 5719.126 424.6905 9967.875 10248.37713 8607.283 4328.4023 2888.42104 2385.087 5969.089 703.2479 2025.553 1486.623 1875.007167 Glutamylserine 8618.648 33739.18 26934.06 7988.886 11785.28 21212.51 34816.98 34668.04 33819.64 15763.29 26249.46 9057.796 13438.99 11760.53 17820.93 9622.017 14666.88 22399.29 30265.33 18832.56 12053.93 14880.88 17415.26 27178.81 10151.13 18758.64 20152.86 16677.4 29634.26 16098.19 18516.41 19584.14 26707.85 14549.14 33644.08 6573.118 33388.44 21374.94 20629.05 14034.32 15912.76 30544.79 37339.93 14680.1 42348.76 19661.47 18535.41 17193.98 17835.22 18735.5 16402.65 44431.77 13170.41 35717.87 15026.97 12685.44 21970.01 19995.33 18564.32 21483.32 18627.57 19694.4 17792.61 20369.77 22082 17210.03 29899.95 3632.728 6721.238 15809.43 31410.04 15323.87 7771.614 23768.45 34662.33 13823.4 18945.62 23391.88 40273.41 30836.85 24208.05 11467.2 11714.52 7489.879 40064.22 30932.57 15594.45 33404.05 16259.41 15605.22 26227.68 26686.45 35609.08 15628.46 36868.75 8116.408 32542.97 35852.57 32038.84 18933.93 13605.85 19722.17 38946.56 36797.63 11704.85 35603.83 14414.89 26482.19 15171.4 31378.68 17469.01 38768.29 35787.85 25790.99 31746.16 29166.36 21218.7 23464.98 44503.45 13499.87 27323.29 32022.64 26435.3 22689.96 25421.27 15048.29 42982.87 17813.03 22516.01 17732.98 24030.55 23546.4 13729.24 21448.66 40494.05 30290.13 13102.34 20528.39 9109.45 23410.61 17656.44 18100.29 17443.86 17811.27 17415.03 17404.65 14113.5 16160.95 6480.979 13837.13 Glutamylthreonine 75662.78 50126.05 59216.46 17756.27 821.156 40607.36 122575 51042.3 49195.91 15465.52 89526.1 7725.417 37596.43 9823.447 20679.96 43308.9 38584.63 36100.41 75610.87 93843.58 14631.08 21444.89 43977.11 22433.87 19771.45 17441.16 22208.88 69229.12 85555.24 36008.27 17922.26 68870.46 17124.96 36101.14 125759 18150.54 25937.59 92602.18 86565.51125 12376.17 31596.41 54072.35 129847.6 47030.93 70056.59 112148 33878.03 64053.53 47356.53 17895.14 84000.65 52269.85 16348.33 48316.2 71520.12 64420.4 17341.3 84989.04 62456.82 126950.3 20266.39 82642.63286 19001.87 119258.2 69735.51 55845.44 65139.6 12909.57 4558.42 105303.8 80148.27 31620.29 17595.65 25131.06 30472.57 17386.94 126113.3 96754.87 74149.28 97659.6 20591.09 18926.99 1320.983 24945.28 145733.9 38558.93 14064.22 113700.7 2586.926 22490.3 58519.73 39035.17 26204.38 38441.13 96127.26 911.7334 65468.03 6006.476 77827.01 55758.07 78852.06 88130.78 36558.7 31732.89 16531.53 65950.59857 27409.43 81596.61 83946.53 99534.05 23728.79 112517.1 96145.87 36459.66 91017.68 45352.4 38871.71 68316.51 99264.74 17483.82 90827.33 30451.48 36748.59 41538.25 37732.52 20008.09 119059.2 138914 24661.24 48820.55 82749.19 54015.62 35351.3 47492.45 84761.09 95232.72 49351.19 83363.44 6231.215 89239.05 80116.22 29417.34 24879.72 49627.91 21656.63 35260.97 42175.45 2070.994 11904.57 1973.583 Glutamylvaline 5834.739 4216.479 6228.093 2847.606 104.0905 5188.943 12271.45 11429.2 10747.34 4114.7 3937.664 67.05307 1970.907 2310.828 4095.785 5502.761 4055.81 8216.833 3655.698 6269.129 3588.775 3261.95 2518.089 3214.903 447.1527 1677.619 3431.617 5360.2293 8168.937 10975.9 3604.254 10520.67 1868.801 3476.61 10552.98 1511.485 6201.533 8446.689 5646.748 2907.9275 10609.39 5114.656 6310.3191 4085.198 8330.662 6427.316 4061.9323 8044.314 5679.162 12965.59 2997.101 7999.278 4133.575 5609.43 5633.024978 4796.625 3765.463 8055.685 3872.421 6894.756 7129.324 5015.379 6144.719 8982.225 5192.549 3021.233 6258.683 343.969 1383.172967 7811.597 3628.883 4796.719 840.8215 11228.57 7271.641 280.7215 5553.533 6031.503 6472.339 3108.1 6317.163 4792.496 1341.934 1315.776 4381.703 4129.79 5887.475 9311.083 5652.655 5466.146 3876.15 12082.62 6414.532 837.1963 5707.671 64.09304 5660.3 3778.192 2677.019 11367.94 2568.618 4727.839 7516.8 6207.264 3734.768612 3583.86 5765.222 6349.322 8537.593 7140.791 2796.289 7592.71 12119.16 6163.337 3381.92 4449.826 6812.472 4934.973 8685.279444 4333.816 11089.5 5643.529 6606.677 5840.369 5364.068 3231.576 6357.414 9642.294 6452.356 4951.367 5829.853 10269.94 4131.722 5753.861 7288.704 5141.586 4119.123 11517.96 40.25487 5968.937 6286.024 3001.28 6685.41 3014.737 2496.647 6725.992 4022.54 1332.884 6038.298 2144.636 Glutaric acid 10523.16 10871.97 6618.2858 10068.26 2791.86218 15772.45 10277.29 13523.38775 16170.42 7535.9174 8447.072 16352.71 10628.12 15479.39 7511.633 5910.608 7506.953 18511.22 13172.09 17020.53 5852.847 9561.136 8464.099 3727.143 2467.5381 69.96354 8451.467 15285.24 8665.992 15114.58 12127.08 14290 3313.159 10292.8 7484.715 3748.2373 5182.839 10110.11 18851.37 14890.23 13091.66 3238.25 4907.132 1853.648 7313.454 5321.779 3352.306 8828.689 11112.7 9480.9056 5655.054 17496.12 14076.74 11402.07 6652.136 7549.222 5152.651 14299.71 14760.89 20151.83 9775.239 12461.7 13394.78 10659.85 9160.632 13625.3 3173.846 1585.402 3428.046 9781.267 5093.141 2072.422 3066.827 6325.283 3694.954 2870.637065 10739.04 6501.665 6086.348 2380.598 1635.303 9761.723 10027.36 4798.438 4755.557 2240.921 5214.976 17263.85 5226.885 6980.828 5604.5 6853.111 7142.078 498.7499 3862.6 2195.27036 6452.797 6622.917 3033.457 7704.121 2893.551 2177.872 7299.819 7334.467 13435.74 6914.099 7243.292 7917.858 1696.055 7591.37 4044.94 11629.85 9156.864 22311.54 8177.785 11644.99 21616.39 7699.389 17061.76 2570.737 17095.52 14635.13 15097 16335.67 13611.36 7218.696 12461.28 14409.84 11505.1263 19523.6 14760.47 11059.75 8645.94 7410.178 21094.2 16850.21 10341.68 11398.88 8432.789 23492.69 12551.53011 8390.366 5991.768 2157.434 2169.647 10731.68 3700.27 8783.873 1479.997 1843.256 Glutarylcarnitine (C5:0-DC) 48674.29 40809.95 103612.4 40409.03 12451 153324 72267.78 149860.7 124283.2 86743.03 52896.63 29952.98 110278.3 54663.08 66536.96 108020.5 72994.33 108446.3 13997.64 102579.1 30698.32 33755.72 27444.63 70651.53 18809.93 16647.23 23373.38 179232.3 103651.6 50118.71 52350.36 73280.81 24474.58 8977.399 60451.87 11999.46 55356.27 125120.635 86719.91 22900.74 180711.7 33594.75 59020.94 38350.24 70000.52 49438.75 67167.15 56017.69 45621.4 86609.57 45649.96 91583.83 75969.38 103082.5 108201.6 55795.06 63531.55 89678.11 15508.65 123301.3 98714.99 129708.7 92403.11 55342.11556 66353.59 80781.07 117256.7 13962.81 15052.66 95129.7 51144.75 25954.42 26839.86 81948.13 42674.56 17263.93 94318.54 142694.9 48730.28 33915.18 82876.3 11417.15 22686.31 24054.99 18774.99 26140.91 105969.4 67500.32 30404.35 36373.52 75503.62 49703.9 64891.82 11802.34 74123.31 11175.09 73852.32 6461.845 6748.328 79872.17 6485.157 49670.19 64810.09 49995.9 1660.17 39096.65 31228.78 63672.9 26053.41 64175.24 23867.99 113368.6 104311.3767 134299.6 73559.42 107058.1 80087.12 88038.05 134478.8 79781.07 188998 169141.4 115300 35434.28 80097.66 47941.22 136827.4 146023.3 76437.09 84112.23 69345.72 115084.1 79289.49 119478 139107.2 179133.9 60050.66 172873.6 30552.15 100236.5 106366.3 22469.93 58107.26 59062.35 29515.56 73997.57 29225.48 37212.98 25207.43 21310.68 Glycerophosphocholine 1509441 1442542 623545.4 1184540 1043320 1424226 571207.9 816421 1026851 64662.15 910397 183445.3 798948.1 171652.4 956515.8 1517384 854641.7 703990.2 1766995 1381624 1383544 1052903 1326294 860733.2 1069908 1125177 615682.4 1157796 898303.5 1054143 934073.3 1375879 865465.8 1272884 1059909 889057.6 1232913 314921.1 963730.1 2083176 742088.6 915542 719545.8 1041582 1213703 656279.7 1009504 1247953 1483962 1939569 749582.3 709489.9 1597696 677405.3 399945.7 809491.1 537617.9 1069280 1016158 525144.7 1608558 937322.5 1972504 883369.9 1222567 1623430 1124674 223235.474 1130119 756100.8 839886.6 703971.7 1123865 1360918 1055419 1227963 1615853 437147.1 1328776 620599.4 1069695 1323905 812807.3 491082.5 983456.6 681046.6 115374.4 763780.4 1186091 1151540 1054357 980072.4 1099072 990719.9 894558.2 1055383 929785.5 706867.4 518455.5 824763.7 666546.6 955960.3 1033566 761169 6445.615 744405.1 810986.9 963335 983567.8 455869.4 324981.4 900214.9 722199.2 956577 1279286 933723.3 1113770 1219748 740309.9 80602.73 676160.7 862389.7 711583.1 877031.7 813693.5 1268069 1191143 731100.2 658886.3 654095.5 642964.3 634421.3 1259942 1276105 669287.7 469598.2 1367178 405833.4 160960.7 528596.5 773916.6 1433915 516662.2 857081.9 654624.8 1573276 866436.4 1626733 1762084 827447.4 Glycyl-Aspartate 43215.79 57621.26 22298.01 42867.74 4824.441 32129.43 76238.29 73984.7 48898.05 15571.33 32281.59 4726.709 71448.2 8058.703 48706.04 62806.46 35520.75 57808.24 38573.54 37792.45 34865.03 51061.01 55956.52 18489.9 4674.925 9199.476 6775.453 28676.53 24522.35 41995.55 37766.07 32833.68 14611.01 38048.4 21676.57 26739.67 22567.56 86197.44 53878.79 50481.01 42594.1 25967.72 26964.56 7835.8 23076.2 29822.08 19479.65 16783.68 67760.48 54815.49 79160.78 71150.99667 22411.16 81210.5 50087.6 67810.91 13070.62 75859.09 63608.81 91050.29 61534.03 77269.48 37074.27 32493.25 65225.32 66430.11 53198.82 22449.46 2683.81 84795.79 58770.42 11804.4 21458.34 14050.63 23903.61 10380.19 55048.77 33624 30501.36 25132.48 15938.28 45478.52 7351.869 42277.94 20861.47 18797.86 12895.76 30863.99 14146.24 16272.3 27161.82 22491.47 25996.28 10015.75 26779.56 4771.72 29547.56 25730.5 22992.34 28093.26 20085.62 23863.86 24151.14 32918.31 48059.85 28357.83 10220.37 30677.63 14658.79 21193.98 9139.795 98693.92 90360.83 61094.78 63754.44 57826.99 78592.89 54880.02 84607.23 11775.52 62584.6 81064.97 74239.86 41654.9 49117.36 45065.53 76667.1 89349.89 37936.45 33292.68 67357.66 72286.73 32697.68 62380.48 107259 99041.87 68362.94 45756.47 3694.008 87185.97 117820.1 52180.25 16767.04 12026.89 11025.57 78083.99 13846.14 7417.511 8244.562 8195.777 Hept enoylcarnitine 497795.8 624027.2 887001.4 505597.1 182169.1 130735 518080.1 811731.6 263886.5 700585.9 269446 198642 553318 334349.8 325573.8 367693.2 345955.6 768394.2 335391.4 389360.8 239835.9 367917.8 435593.6 1052897 214041.9 231242.1 360754.5 247643.1 892503.3 510751 327199.5 307501.6 805863.3 329037.1 1116646 143549.2 857987.9 785752.1 516715.3 298831.4 405992.5 692037.4 1061050 339959.7 946638.4 974195.7 816347.2 1260483 565232.2 569406.2 485315.8 777001.3 137393.7 597416.4 719377.8 558524.2 720521.9 539841.5 470535 706085.1 426970.9 768886.8 383067.7 302869.3 610767.6 662872.6 524308.8 93642.71 105493.8 843120.9 525276.3 506208 156914.7 1161325 1223165 248445.5 568260.6 1241351 1079291 743768.5 737647 327121.6 376669.4 313955.7 825435.7 540319.4 850065.1 1071518 923041.3 989650 1113389 1157248 1176661 296080.7 1021630 178964 858294.1 955428.2 797677.8 1052969 813430.9 892440.3 850247.2 1267005 295076.5 1160183 467179.5 1307259 506491.9 900059.7 358594.8 872801.3 838881.7 914173.5 549818 479764.7 707778.1 444502.4 890436.6 515450.4 750923.4 582922.2 652224.8 452522.2 439439.4 289443.5 721125.6 886212.1 299457.6 251814.3 855364.2 653315.6 194953.9 351838.1 791533.5 770503.5 575965.8 463402.8 136456.3 1110417 699231.2 424849.4 1171534 653389 417724.3 559406.1 747769.7 246123.8 32643.75 435016.6 Hepta-dienoylcarnitine 35259.46 46558.64 104294.7 27041.63 16892.77 24042.82 68075.85 39985.05 38679.68 35951.49 86227.86 20203.68 114110 35666.96 24824.28 37266.1 46606.26 43994.84 99810.36 101172.3 25342.6 32634.38 37153.09 62713.52 11604.27 37094.98 34145.75 85517.38 77260.55 61767.28 27754.61 110889.3 20753.42 92172.87 71400.83 63506.55 33651.85 48110.98 127785.3 31986.68 26052.89 35354.3 131014.2 26943.04 45108.79 115942.9 26276.34 59409.12 133213.5 73458.7 35549.42 115209.5 21336.81 41306.55 70518.78 143833.4 17892.7 40525.77 83600.12 47672.93 34656.57 111048.4 57523.63 66172.74 144993.2 101442.5 86510.33 13716.77 3151.598 118566.9 82216.7 40920.54 19211.1 15786.1 58063.07 31005.62 99927.42 127845.8 40315.29 41539.93 52067.43 23100.91 10613.42 65015.57 35824.23 68127.29 19468.2 103075.7 20070.31 45394.21 81266.04 47178.36 63239.87 20287.34 38896.48 9690.538 40361.29 41616.93 41098.12 93773.71 87273.34 24308.99 37299.18 47543.3 17881.18 76314.49833 10611.54 49384.48 24254.71 86947.59 13994.85 103751.6 45001.99 43678.72 40924.08 87463.79 62721.15 69708.42 62521.83 39819.37 38445.18 84365.39 38295.75 77323.98 62892.11 58210.86 47560.13 49378.18 52697.88 61370.2 57773.84 77917.95 22232.16 70048.79 68698.61 90804.97 114797.4 66138.91 14740 60475.82 71447.66 31828.49 54965.98 16439.26 20770.2 36897.69 23807.69 24637.31 17279.07 14269.28 Heptenoylcarnitine (C7:1) 24807.33 26395.46 454001.9 17397.46 110462.9 39157.54 29703.23 29990.23 55015.02 674090.7 28221.5 144042.6 26407.85 239399.5 18641.29 20857.81 15213.6 28352.28 38802.99 30037.15 17153.21 23194.63 14172.55 645748 117339.2 116116.6 214997.8 13124.23 558459.8 17862.7 20216.25 25513.03 367558.4 24670.06 668283 7498.387 459263.2 31428.17 29222.85 14414.83 19270.89 363705.6 452419.3 250106.7 428522.4 466895.6 691466.3 170429.4411 18307.43 43542.53 21657.91 38339.81 26332.67 43349.14 44301.19 21660.72 581975.9 27431.31 28060.07 34499.44 24646.62 24784.32 20009.2 25438.71 17521.8 21751.07 19018.52 6651.39 80612.65 26948.44 17588.96 364724 7748.112 558853.7 237438.305 164495.3 29534.05 618734.4 229356.1688 400692.3 632272.3 14364.67 277863.1 11723.36 462834.6 391355.7 562609.3 650117.6 655818.4 493428.9 212643.225 699814.1 228976.5113 218891.7 402027.4 146694.8 507650.9 213902.8275 453901.8 617183.7 424195.3 565123.8 721923.9 241954.6314 13404.86 477931.9 377013.5 647701.6 269100.2 501658.8 268851.6 24981.33 20147.7 23799.87 27554.72 24161.47 32440.11 20349.74 31275.92 321192 74854.4 30978.85 42023.93 32142.92 23064.52 18347.62 31467.27 36447.44 32566.42 26627.48 29611.41 28470.16 24388.86 21340.78 41428.09 31865.66 22780.19 26885.94 86243.71 30077.83 38005.83 20111.63 193634.82 461001.7 304819.4 25142.78 460674.3 157546.3 8002.356 282533.2 Hexadeca-dienedioylcarnitine (C16:2-DC) 23692.48 19509.95 6188.588 15016.16 364.8332 30719.61 31830.63625 30760.41 49680.81 15686.68 22809.7 389.0418 22170.355 3430.886 22547.31 44605.14 35853.02 31098.95 41572.91 27369.42 4864.084 12348.63 19326.15 13781.5 6037.524 1030.833 643.6903 29066.36 14977.04 24788.81 14395.36 21506.34 8080.695 17022.5 8347.394 4511.993 10604.84 30981.9 52856.76 21159.18 26678.59 8855.23 26531.46 1848.344 14727.64 11507.46 12376.46 6335.992 25359.57 55250.23 22732.64 26160.19 22920.37 37426.76 21668.04 14512.94 10334.6 16843.69 24125.91 27226.73 21651.2058 25230.73 28382.15 39616.85 32419.76 51530.52 37285.93 7717.324 4109.485304 30910.2025 11861.69 4339.73 2324.739 12685.98 12731.24 1485.006 26576.28 11791.19 16334.68 11982.2 13054.26 7995.903 4103.238 6544.452 4676.294 4066.425 9800.1 146.1567 7202.587 9144.427 12760.05 11093.48 14011.95 2909.03 13318.18 2198.587 18159.64 15782.72 11327.59 10028.29 11270.75 14108.07 21135.76 19224.26 20304.97 10971.82 5599.717 14830.59 4449.376 12390.52 4800.94 36870.04875 55693.93 36898.33 40320.76 53114.98 28093.69 38281.89 25027.48 14603.89978 25283.1 51030.49 38038.63 23942.84 21534.98 37715.8 26691.53175 34377.69 48772.3 23832.61 23147.21 48270.03 15164.43 43282.21 32128.65 34395.79 39950.64 24184.31 5281.467 17579.83 30884.20667 13976.19 22926.41 1378.041 5424.083 17992.59 4724.448 1128.393 2415.387 5213.855 Hexenedioylcarnitine 47574.48 29910.44 32513.83 40258.84 3669.353 48695.62 61961.89 75525.90778 51604.21111 104945.5 116723 14245.08 55592.42 37751.86 45267.57 51331.95 34472.81 70025.17 47261.85 83665.32 27841.41 60419.2 45928.4 38083.33 3785.655 5787.148 15457.68 35262.02 53074.81 67227.84 14579.13 51647.02 31760.95556 65000.83 93592.07 6185.348 37825.74 62862.07444 44599.54 33607.21 52694.739 46695.75 77002.21 21594.29 45078.2 52773.43 37748.6 31314.03 40209.27 73604.37 56224.48111 111285.4 79317.6 43794.95 68775.66 54087.024 50319.93 53287.93 44867.97 67438.25 96788.7 78689.24 50774.29 48320.99 43514.85 30924.06 57340.53 11932.1 7003.457 34244.54 37523.73 26405.57 18455.49 60454.1 42319.27 9427.892 70970.09 45920.56 64488.02 27610.58 38305.52 49045.03 25455.86 20037.57 23966.27 10728 86359.61 35344.06 45883.78 37809.23 31439.28 26529.57 25118.95 13491.59 55060.27 10096.64 37199.27 48978.06 61423.28 87085.31 39741.96 57493.17 39868.2 69039.38 32337.13 25684.37 24704.99 43368.19 29856.08 124181 26191.18 113898.1 68163.108 106603.3 44235.45 50476.7 120366.3 40891.95 68610.4925 32198.26 63987.63 60182.924 111114.9 45985.02375 75698.95 50673.24 111477.9 51574.15 52754.42125 48815.84111 76618.74 60188.88 42181.33 51986.84 74425 65125.41 60292.03 62521.35 12466.75 64333.26 68482.375 50153.3 61276.87 30361.17 23299.07 86085.14 63509.4 18365.05 10549.18 25684.82 Hexenoylcarnitine 25470.12 48932.98 21374.13 3072.98 7369.069 3613.479 17999.43778 5065.813 3440.928 41597.6 27176.22 6920.422 18660.15075 7381.132 11798.54008 53248.88 16018.73678 3309.252 32552.29 3831.674 21273.12 2740.332 27506.36 30581.37 7568.217 8330.627 10995.08 32654.6 25552.87 3208.419 11078.1939 2890.613 24316.71 20848.15 2915.862 21717.07 2898.743 22532.42176 36628.59 2607.345 47831.19 16285.84 33167.26 11212.53 1890.433 28924.21 1728.543 24467.45 38714.85 19316.5077 19086.924 3365.264 23965.13 21444.92556 41420.86 61009.04 2435.667 17373.52811 2868.259 26373.0136 61944.43 30972.9879 48411.66 23529.54 64743.2 23774.83538 26761.8848 25389.81 4682.549 28625.41911 58792.56 14099.61 2791.16 21035.13 46007.15 4475.171 35306.72111 47749.3 2222.39 17120 21622.94 20465.03 10082.18 34220.83 20484.96 11896.36 2427.677 26559.36 22267.8 2390.401 21941.26 28247.69 30824.93 12373.96 26842.29 7776.679 21563.08 25966.6 16897.34 21979.35 16609.89 28898.76 26445.95 35649.25 9810.564111 21270.27 10658.17 34025.97 12632.51 31848.58 11647.53 3000.747 28147.31822 4547.509 63306.75 17943.8521 43302.1 22198.91889 40210.06 16549.65 4571.062 18338.2833 2822.857 5750.62 13493.06211 14776.2096 3331.41 25820.363 16120.8964 3321.65 5065.403 19296.7105 2716.262 57570.14 4346.865 25547.7024 24451.2764 20798.2574 5977.652 5610.643 5682.013 21845.4 47221.11 6841.762 2704.879 2826.72 16082.03 7795.452 8147.764 14460 Hexenoylcarnitine (C6:1) 8020.071 7026.839 15247.21 6955.752 2758.163 7745.772 7556.152 11111 10971.75 15052.06 5451.457 5380.027 6251.864 5574.967 5720.434 6052.747 5049.255 7964.834 5057.416 8032.965 4830.529 7444.835 6384.531 15811.6 3327.322 5282.22 7473.548 10810.89 12844.3 7642.002 6077.85 10191.23 13545.42 6181.966 11336.4345 2618.674 9789.656 10239.24 6636.791 4387.542 6634.84 13060.02 11472.82 9334.369 12151.11611 13303.88 16016.05 9589.3746 6651.589 12994.54 6503.888 12875.6 10333.96 8525.61 11905.93 7177.357 9116.4684 8270.217 7723.529 12344.71 5346.154 9161.582 7718.703 9213.634 5754.77 6894.114 6737.493 1758.119 6809.036 9283.224 7170.944 6112.059 2349.886 18505.86 10481.4568 4570.212 8493.934 15510.46 20226.52 9718.826 18321.09 6191.616 12143.92 4460.509 9498.9408 9636.791 8651.7178 11608.7408 17326.39 21681.72 14852.45 18817.84 11254.3375 13803.99 13572.63 3659.889 15193.78 9506.7117 12165.52 21248.33 10327.59 16153.69 20293.41 20166.16 5122.251 12230.63 8695.003 14675.98 7004.057 10207.7677 8315.253 10280.82 8818.612 11222.37 8025.012 7193.706 14293.86 4457.247 11447.42 14368.14 8886.57 8058.83 8386.511 8456.402 7049.726 5657.769 10058.55 12039.34 11955.76 8358.162 10034.66 8237.328 6592.217 6846.579 14260.35 10933.43 8427.71 5476.498 3106.984 12179.51 12860.32 9476.343 10006.5588 16214.42 7015.145 9064.498 11924.2 4407.652 1930.96 6743.902 Histidine 3325.601 4289.472 3799.955 3130.071 3714.857 6851.266 7224.222125 3946.141 6007.622 3405.698 5865.887 2239.761 7362.554 1589.641 5609.19 6052.16 1748.598 7053.784 8822.763 9748.432 2354.552 7739.739 3751.929 6035.786 2107.114 3761.054 2903.011 3839.994 3146.233 4195.304 2783.894 2206.988 1757.675 3402.619 4431.189 3521.56 6101.501 6632.066 10845.79 6635.809 6690.772 3887.706 4630.953 1806.503 4432.331 4938.452 3704.006 3041.849 3201.346 5198.389 8372.472 7016.453 3903.457 3776.744 5229.657 3518.405 2862.625 4384.131 3442.949 6064.771375 3629.755 10435.92 2802.651 6807.792 5895.455 1560.963 6500.694 2481.841 1684.356 9936.446 4793.944 2096.554 1857.574 2788.497 3362.938 2407.775 8276.838 3113.923 3878.989 4989.555 3304.398 3787.517 668.5058 4205.153 4414.799 6440.892 2550.056 3317.944 1987.297 3751.849 4225.821 3428.743 4765.335 3082.328 3297.635 1885.118 3133.088 5320.984 4069.167 3846.863 2955.086 2570.308 5588.589 4623.772 4022.264177 4322.86 2066.065 5685.784 2867.276 3019.885 4543.569 10860.96 5033.662 4664.06 5339.895 10462.15 5318.591 5723.416 7790.707 2886.242 9700.118 7144.976 6459.701 9488.978 6185.985444 3497.546 4834.918 7317.147 7406.374 4636.206778 3988.132 7473.388 6020.256 5007.947 5314.138 5236.739 4875.502 8122.475 2018.434 5511.285 7153.358 2416.357 3683.985 2224.139 5725.372 6252.793 1223.845 1663.949 3769.778 1775.112 Histidylhistidine 11219.98 24436.55 25925.67 8102.475 1693.316 9451.486 12488.94 11909.46 9038.2 6678.559 14606.75 1552.069 16100.521 3330.898 6770.959 10963.15 10420.34 14785.9078 26993.45 41898.67 6817.666 14953.1 18693.73 10166.54 1191.825 4624.995 3304.337 31967.22 15288.38 16892.95 7510.983 18403.69 5742.615 16912.11 7628.312 10492.98 12590.65 211.0776 22884.16 7712.205 5891.592 12688.67 30534.61 4013.881 26818.02 35244.85 5512.314 9758.99 22338 12521.32 15202.2083 23677.95 7399.269 15494.68 15816.98 25299.38 4513.366 18984.66 10606.54 42105.76 13125.32 21296.97 10887.62 27229.09 32427.47 21075.04 21779.4 3276.984 1665.128152 35696.19 34157.69 8208.165 3728.222 7695.431 12414.16 3577.709 29004.56 28066 20030.82 19645.31 6404.181 10475 2249.016 10416.63 20636.3 8739.968 4955.64 32346.49 8599.804 8299.061 17822.17 21034.38 11912.38 3596.293 22074.25 1192.905 25018.48 18758.22 19905.57 22516.43 19947.05 10588.8 15403.72 22081.43 2961.644 22537.0863 4583.72 30817.4 15522.2 28388.83 4681.067 15847.94 37065.51 172.5213 24624.35 13890.69 47.50825 13103.5 14270.85 8050.246 10294.97 10391.72 10716.63 8876.288 8324.621 6617.878 13111.51 21099.29 9768.823 7562.773 12485.3 12158.36 13018.1 31317.96 13445.72 14197.18 17806.58 15826.04 1010.864 24954.62 11977.74 16158.92 5643.975 3265.888 2674.432 20977.85 5073.371 608.118 2364.604 4831.556 Homocysteine 2816.429 7679.606 8291.722 2782.255 1759.240459 2752.752 2291.417 3105.919 1868.358 4988.889 6541.101 434.7412 6214.979 1571.306 1603.399 918.5837 2119.032 1871.734 6520.13 7937.881 1340.402 1738.655 5887.405 5587.811 266.7836 1090.897 1109.598 7843.852 7589.836 3276.986 3049.439 7902.866 2435.409 5986.299 3955.074 1739.774 5292.195 2231.761 8163.857 2074.246 1485.553 4012.256 8323.147 640.6822 10476.93 8816.748 2830.643 4978.186 7244.439 2639.543 1487.435 1535.973 3311.693 1830.314 6546.665 6711.504 3002.5 3228.115 3851.383 3601.314 1854.556 6592.596 2104.895 8230.635 7012.959 7432.719 5620.072 333.3669 1572.45838 5968.573 4259.952 3447.237 499.9199 3706.333 4312.272 1360.697 6009.61 10391.17 8192.82 5751.27 2443.623 2366.301 159.9894 2517.776 5790.666 3587.579 4753.378 11402.36 3427.534 5341.574 8022.684 9751.556 4489.2 303.9158 6985.964 1419.178406 7217.346 6511.502 5525.47 8382.399 5405.001 3309.15 5358.84 10684.33 3497.241009 11140.7 1178.255 9601.532 4086.143 10817.65 1182.359 2288.243 2263.976 1664.88 5146.136 2312.17 1911.481 4990.558 2792.448 4421.383 1670.2 1111.298 2257.773 1890.929 1531.283 2064.186 2050.741 3194.034 2968.435 2651.256 2324.723 1292.046 2225.179 1953.117 3254.39 3368.695 6142.217 2110.621 283.7885 1687.117 2178.709 4838.231 4096.051 645.1764 1501.278 6372.058 3017.723 439.4075 153.9009 820.6392 Hydroxybutyrylcarnitine (C4:0-OH) 9231.855 2298.078 1646.004 3460.227 849.8025 8800.232 15206.21 11844.893 16421.26 962.6986 4800.753 2663.058 7344.745 1539.044 1813.212 4461.349 11913.96 13873.81 6277.31 11286.75 1812.44 3501.756 3411.034 4612.442 4101.361 9527.616 323.555 8279.754 3288.292 18970.46 2205.171 9595.396 1552.899 6566.367 7050.49 4036.081 1574.832 9660.526 3971.182 2666.364 3693.243 18363.33 2765.826 1419.255 8196.545 14542.37 8690.284 1994.239 5088.371 18708.76 2899.492 10443.57643 4442.264 14320.15 20016.69 8689.333522 5981.959 15958.72 8095.951 2436.386 15333.16 3627.911 10958.69 15679.81 2791.515 10999.76 20513 625.1786 1553.448034 2801.746 7717.141 7455.063 248.1267 3670.719 13682.77 1428.972 6797.22 10410.52 12578.08 2128.881 6347.438 11080.16 3492.018 2841.021 2937.287 3788.005 2300.888 3116.017 6374.303333 5264.775 4764.41 1703.099 3319.663 3350.847 11963.59 1464.268 9693.144 1108.366 8440.979 10841.95 10214.07 8115.533 3501.168 6462.923 68.00238 8778.628 231.2149 2153.196 5376.768 4664.802 6767.506 19976.64 10231.2 8542.519 16837.66 19153.31 3697.729 5191.53 8950.599 11039.66 8992.22125 16428.24 17049.93 18144.94 6935.506833 2170.905 19642.45 6888.619 11338.35 3274.549 11184.85 10263.22817 4784.396 7925.571 4870.436 11225.19 3513.942 18305.24 2254.045319 10003.43 6810.026 6677.108111 1837.009 213.6699 2586.75269 11360.13 2050.148 170.5297 1006.3 1342.176 Hydroxydecanoylcarnitine (C10:0-OH) 1459698 1655787 2420867 1428342 408876.6 285869.2 3166229 2644666 847881.5 1231140 914228 432042.5 1836497 656430.3 1023679 1288519 960568.5 2082572 1237890 1140322 740337.3 1186319 1400020 2194972 602158.6 525333.2 607398.4 689017.9 2793093 1448763 799419.2 825096.2 1644185 907545.8 3210600 451712.5 1878687 3196945 1840527 875225.7 1157614 1927011 2662320 836718.9 1628268 2678485 1954249 3813103 1531880 1367591 2464532 3112450 305356.4 2015993 2115956 1774532 1223149 1747800 1137353 3848937 1013933 2560452 851090.7 1201820 1818645 1774013 1778701 349702.4 227674.1 2299514 1881942 1282584 481151.6 2556638 2903660 525973.7 2058773 3058202 2739581 2264028 1844661 1165173 744926.8 1115976 2597881 1471995 1417780 2849331 2004805 2742767 2735319 2993507 2560904 744439.1 2678847 375799.2 2348000 2234165 2120414 3549795 2299067 2265797 1730527 2346844 920156.8 3382414 1263041 3000547 1726513 1873433 847336.6 3703055 3752226 2920034 1771904 1206861 2594682 1395704 3902944 929991.8 2099082 1984714 2115304 1258975 1256501 800132.8 3587151 4717973 636213.7 1364148 3157647 2227081 548838 1206381 3852111 3472250 1956553 2016473 213464.4 4702599 2123020 1179124 2261828 1540963 881728.2 1802881 2504529 543449.1 71836.81 1068361 Hydroxydodeca-dienoylcarnitine (C12:2-OH) 6318155 8262540 2938072 2252938 606022 6330602 11465923 16076959 11617377 9015086 8302571 2954990 9722861 3337441 5860770 7160873 8659697 4077420 1945042 7718643 3583754 9183691 3484935 3228921 498516.4 2189105 3279435 4823003 1603010 12615837 2169630 8967303 17166735 6316524 8495957 1068788 3254649 17855714 6909489 5060106 3874566 4824317 7744816 2775476 3194363 7939885 1740337 2118978 2206570 8365463 9169475 11436737 8119931 6477514 8557769 9973414 7313782 6392912 5780861 4375165 15915052 11865139 2793596 9592402 9550989 5630211 8174926 850243.4 1118979 4847328 2876902 3295404 2831334 9165648 6287470 308568.4 5473126 4068842 7443803 839406.9 2184252 1153230 2830661 2379771 2260419 5665561 3825017 6605000 4306202 5083613 3619620 3873122 7556565 832623.1 5442231 1023532 9172133 5199999 3890398 10478526 5220461 7290471 5472485 5897465 8966.99 3941551 4622099 2944019 2923615 696026 3312807 11221343 13360123 10148855 8299754 8673856 9731771 7076445 9715613 12518257 4002067 9742589 9654253 12587043 12232281 5026029 5183364 5044213 12771878 3793061 5069147 14987223 6538868 9176541 13669240 9952562 5166815 10574458 1291988 7425027 7360925 8401199 5392661 2614257 701275.3 6115823 842806.1 1123864 1673133 2424595 Hydroxydodecanoylcarnitine (C12:0-OH) 27419.54 25362.22 23687.81 15079.58 1392.935 17094.44 45570.11 35707.54 29488.09 21134.27 17029.32 5985.744 17475.35 6168.225 14242.96 23947.37 25684.96 45345.26 16735.54 29007.03 10892.03 20297.22 17062.09 23016.87 2861.188 7456.36 11528.57 18303.3 24601.85 40602.74 14084.93 20701.83 10632.11 17754.06 42311.03 8908.318 17697.62 63448.71 23562.98 11269.87 22039.5 22846.24 23597.12 7357.048 25285.69 31508.37 18153.05 32278.11 27202.14 28384.69 51676.26 64308.63 8972.332 34897.8 43664.33 32530.9 13080.83 33337.27 24391.37 43663.35 31380.23 20857.74 21641.37 18057.23 24448.97 21415.28 23038.99 5135.481 137.5026 35118.66 17196.74 12799 8002.927 31800.45 25327.27 3748.196 26568.33 31242.89 31693.06 19943.35 18395.33 14198.72 8248.553 15238.27 20828.36 10914.97 18636.05 24696.15 24599.52 27392.03 27106.25 29134.25 25726.57 5252.806 27341.71 946.6594 24157.84 20948.73 16378.32 52028.07 18820.5 22405.5 29664.94 33209.06 9522.051 29941.12 17163.93 31599.58 12353.27 19232.91 6539.366 68915.94 64262.27 56771.84 34235.7 24121.8 54453.01 42528.06 59368.19 22883.92 39207.99 39647.25 35035.64 36424.29 34983.93 26441.78 53214.85 60365.83 21328.16 18683.31 46221.33 60874.4 15897.58 17429.2 62742.88 59308.61 32580.49 49512.59 3768.609 46521.79 45035.74 20911.92 26065.21 16421.93 13689.77 38231.2 25293.49 7762.897 4516.605 6311.114 Hydroxyestradiol 9090.200222 12333.62222 2005.173 8068.392 4868.428 10244.2838 13617.90144 17988.28 12056.1625 3616.582 8804.7939 5312.305 10824.53 24989.96 6363.093 9104.4016 7063.895556 16558.25 10182.5216 11277.3564 3314.174 6748.667 23364.09 4100.971 4376.512 10710.81 6154.6668 18507.99 4632.689 8918.262 5402.916 10519.457 2336.036 3845.222 3555.981 5177.246 2686.621 14255.95967 13415.9499 7365.2047 6051.484 20268.2 3699.632 23302.05 6321.418 31454.45 12457.94 3303.391 8070.784 9701.876 10448.3996 14324.60122 27515.7 14876.78 12981.14556 9326.936 7969.902222 10920.43 8115.614 11033.98 9067.578444 13746.0471 8040.682 26983 7223.073 10569.18622 8740.772 17541.26 10691.2 26400.47 10787.26 6469.47 6449.992 11374.108 5133.747 3978.316 7541.713 3275.772 3477.841 5313.578 3338.153 3599.518 7571.74 15739.43 18610.64 26473.55 4243.222 24594.76 3165.452 25857.78 3522.06 3471.844 4569.871 7802.78 4171.802 5904.566 9317.4846 3661.656 1991.07 12045.19356 2312.424 9332.8763 12726.5486 3661.715 6765.632 29565.88 27511.01 4200.975 1510.314 3149.569 18147.16 15743.86 16476.43 16932.54 9449.047 10808.98 11573.21 7907.574 16696.31 7195.143 13891.97 10515.7 10717.86 9295.149 7997.233 5833.401 15604.42 15711.15 6790.724 31158.64 17387.95 13739.7 7784.191889 6087.908 16043.02 19089.77 8821.092 6637.195 2557.778 18859.51 11309.55 6644.437 4064.472 9917.58 3091.108 11861.45 6301.904 8879.167 18187.28 5758.419 Hydroxyheptanoylcarnitine 243323.6 163582.7 46530.37 191400.7 10978.14 130790.3 283354.6 370301.5 169017.6 54553.42 94482.42 16358.58 181633.6 37323 163202.5 140181.2 194636 312655.1 94281.39 216750.8 77942.51 151296.9 87768.77 70296.38 8533.147 13723.59 31660.22 151537.4 49732.26 193469.4 160886.4 91579.92 101508.2 99977.61 69793.19 39464.03 58408.87 203633.2833 125382.6 234230.7 134684.7 42934.1 67022.31 27509.31 64954.62 88763.26 44774.66 58015.7 147222.9 260359.5 258947.6 156689.5175 59107.81 281506.6 206606.1 173368.9 82182.52 227475.8 165275.8 345775.8 210480.1 268073.5 125152.4 84363.78 209898.8 186953.3 126883.4 37071.34 8046.025 229639.1 140241 36906.22 46063.06 90035.66 69440.43 12144.11 155421.8 67105.09 69248.28 116014.8 38918.09 116869.7 23468.77 107378.1 38079.43 48090.13 48105.06 67501.04 54621.12 59805.32 51517.66 55058.11 91676.54 18063.76 119694.3 7929.888 64499.56 64140.43 39026.58 89886.46 42908.93 60161.82 70569.56 62951.95 74130.81 203805.2 39277.28 69219.39 28160.2 152887.9 28273.91 163010.77 198845.1471 192275.1375 207913.9 182123.3 368877.6 254965.6 334685 83016.11 284701.8 270381.8 302785.1 162912.7475 242340.4 179508.2 301971.1 343864.5 210324 170872.8 327481.7 302515.8 115902.1 140229.5 296577.5 184973.7557 146397.2 240848.1 19269.42 176095 261092 143410 62098.24 32178.88 17668.62 173980.1 26465.07 17473.38 19957.85 17563.15 Hydroxyhexanoycarnitine 8273.646 6967.379 2145.028 7964.327 1148.677 2573.421 8110.46775 11961.32 12035.31 907.568 4328.624 97.25003 7803.514 382.3256 6534.498 10049.49 5826.101 7954.087 4682.587 6111.384 5593.697 7667.355 7338.573 841.9609 400.7277 183.1392 2273.3908 2331.578 2549.796 7452.463 4436.483 2617.824 1040.611 4443.097 1875.906 2895.512 1527.773 7817.707889 6194.394 5732.069 8779.2207 1368.451 3946.907 937.3315 1109.354 2268.531 1382.926 2022.794 6528.189 6859.711 4766.696667 7252.957111 2467.02 6266.9816 6784.819 7911.652 815.0028 7655.035 5994.559 6884.8755 7652.462 12534.31 8527.693 4564.155 6999.096 6828.317 6993.873 3005.282 98.81397 10366.51 7023.467 942.2333 3376.15 1043.227 1875.247 90.62165 2943.22 2397.225 1778.074 2503.548 1668.895 11575.71 745.1466 5856.768 1510.846 1365.216 627.9869 2395.972 1256.613 1742.548 1509.732 1097.993 1461.908 537.5239 3903.002 499.4125 2500.49 1166.145 2439.788 3048.903 4653.799 1810.5 1261.353 1152.696 7555.831 2918.696 1697.742 1836.743 1610.557 1728.397 652.2599 7503.679222 10015.97156 7608.6946 8833.692 13531.28 5901.836889 5832.668 9631.410875 276.5111 8856.669875 13211.83 7892.8529 9510.412 12784.65 5230.023 8304.5043 8972.597 3065.157 4863.729 7418.506 8882.067222 3164.576 7380.024 7935.869556 5533.415222 11175.68 7900.6134 279.2082 7023.3355 12805.06 5497.336 895.4977 1213.287 383.1775 6542.205 1939.112 229.1605 687.938 721.1399 Hydroxyisovaleric acid 2509.075 2964.349 1353.707 1807.684 1456.600059 7548.997 7702.364 8983.089 12981.78 2192.641 2763.084 1489.90576 4945.617 580.5221 2125.99 4645.858 2305.297 6839.498 3394.791 7020.948 2317.533 3128.672 1056.074 3760.841 1613.75295 1728.296156 479.0148 3804.945 3250.958 5688.022 643.2844 3021.984 2887.862 4871.299 5810.891 1690.38595 4657.228 9605.912 5155.081 1601.54 11418.77 1738.317 3758.784 943.6261 3656.235 3093.672 1669.994 2982.424 2207.991 4447.062 4568.675 8543.602 3116.008 6686.47 7294.467 3076.141 1173.653 3732.683 3147.464 6671.017 6886.474 6034.757 4178.884 6102.394 3390.673 2762.427 3628.528 1408.025191 1324.841645 3927.095 2107.041 2442.72577 74.57161 4820.959 2833.014 1467.673494 6369.963 3071.252 3226.375 433.854 3559.375 3919.658 1979.51296 164.7863 2125.363 1502.58 3197.956 2420.617 2918.939 2801.329 3725.797 4591.866 4816.499 1255.91938 5807.193 1358.955018 2418.373 1723.266 589.4465 5018.555 878.3448 2719.426 4159.742 3563.111 3826.854677 2005.459 1143.782 4646.691 1244.453 1554.277 371.6661 8247.067 12064.41 6914.441 3297.442 6122.414 6591.844 3080.607 11347.01 1239.682 10999.45 6614.476 8195.081 7216.331 5456.476 1731.461 12896.9 9164.494 8548.573 5467.177 6903.617 9030.852 2776.326 3276.523 10166.11 6542.204 6722.114 9859.492 2074.254177 8888.876 9440.467 3202.308 2462.24 653.5154 592.5766 4025.906 30.02381 1507.87305 1827.881327 2287.94672 Hydroxypentadecanoylcarnitine (C15:0-OH) 24950.12 10594.18 6771.238 6594.585 1144.344 10911.54825 17826.834 22985.56 26102.51 17356.32 11055.19 2634.191 7258.113 22693.33 16351.3 16512.01 10861.24 15644.49 11121.27 16507.79 10386.31 8093.882 8609.468 17038.46 1536.742 2610.477 12825.48 4074.706 3960.27 15159.89111 5451.865 9473.909 8104.038 2450.76 5358.851 1716.79 317.8327 19724.94 11168.35956 22000.73 8871.151 8435.442 9696.827 7493.897 10606.44 8958.711 3621.586 4973.919 9706.246 15430.61 17724.62822 21713.13 5649.868 18826.81 14670.96375 17725.35 10043.28878 7294.977 10541.1 13147.52 13272.87443 15622.60444 6860.139 6177.302 8151.615 22877.9 30415.15 5790.483 3992.574 13861.75 6817.638 2237.553 1747.709 13508.24744 12162.78 913.4015 11026.80644 5723.668 17327.45 3009.22 143.9153 75.73041 2223.667 8083.385 6268.744 5757.623 9763.714889 5973.587 13691.74 7617.288 18875.81 5256.463 22096.59 2675.331 1972.725 1656.477 7623.345 9762.167 7239.175 9881.257 8460.85 10151.62956 20791.73 9182.491 619.84 15694.3 8559.717 288.9175 135.1341 1964.844 7860.481 21492.73167 14923.99 21601.71 25633.67 6737.203 14338.01 12331.72 26607.67 25231.44 8052.291 15100.09675 15363.23 16922.6212 14071.70086 8557.53 3227.195 25358.23 14757.24 16816.15 28412.29 19775.62571 11065.47 24703.54 18017.14 22499.09 1540.923 14366.16 2307.914 10333.89 14206.71938 22345.54 9755.002 3537.03 1562.707 8095.929 1709.968 3246.571 4910.384 2362.926 Hydroxypentanoylcarnitine 7671.607 21358.46 19455.12 16588.54 4355.544 8061.86 11477.93 21535.59 9021.606 29802.85 4188.152 4527.351 7635.311 9027.473 17761.17 29690.64 26710.3 17957.04 19113.59 9859.107 28182.17 37159.39 33920.38 33484.49 4686.457 3676.767 13953.68 6047.103 23915.37 8307.948 7626.891 9247.563 31065.96 4629.073 31978.63 8368.715 32707.92 52461.18 8300.901 23461.6 54706.58 22356.68 25377.73 13243.23 40054.8 22268.74 22768.06 32136.08 6596.457 15990.6 41257.7 13320.19 8025.713 23673.9 35132.04 20449.04 33464.83 27764.63 9589.341 30655.71 39509.41 25174.58 10529.75 4186.489 4618.288 8987.203 18650.76 5067.796 2318.092 20643.44 18889.77 13683.25 8338.357 40479.62 35017.83 4584.386 49319.84 30665.58 30269.3 20824.22 18897.82 3943.025 10380.97 12070.06 23913.37 16957.63 33943.31 28898.97 32116.73 39931.19 29325.71 34862.32 37590.34 6917.517 28105.31 3440.75 19383.11 33806.67 23017.64 28721.27 21532.55 28221.96 24450.99 39028.72 7085.648 23403.99 8112.509 32863.84 14378.73 27887.43 14573.16 12838.93 29208.42667 33465.59 31065.13 10971.73 13272.68 21436.18 12631.67 23772.9 14532.11 12047.55 27076.016 44339.11 13201.07 26186.95 28284.15 29172.83 21904.06 11022.84 30184.32 11349.33 5150.865 38030.28 12624.17 54001 10582.48 46370.61 3582.987 20098.44 37680.63 8065.059 38202.5 21636.01 13295.95 8164.856 24472.33 5936.09 5162.652 10636.66 Hydroxypropionylcarnitine 148583.9 102531.6 62567.32 102158.3 4436.968 169915.7 302272.4 180226.6188 139727.7075 50966.3983 156794.8 14062.92595 79026.94 28795.0074 177753.6 90693.48286 118171 164326.25 189915.8 256966.8 66350.72 140867.6 96055.1 42827.07 3957.307 6125.044 14948.63 179005.9 33342.86 57836.52 61924.6 148371.8 33168.03 61105.95 89819.41 1984.827 61471.76 107861.3343 134624.2 27359.81 95321.71889 42952.26 41611.56 17176.72 84710.19 35507.55 24983.97 30347.59 120402.6 225302.5 81039.39 107888.796 154804.6 135005.8 259217.7 80468.09 11662.34 146495.6 27529.39 173909.9 192456 74887.28 263692.7 86645.531 83902.55 83156.26 270363.9 14125.1 247.5555 130195.7 166612.1 12531.2 9397.568 51725.97 30637.87 5408.444 298053.6 30658.31 74436.11 13343.36 34176.43 51694.65 2517.462 14017.14 24026.6 27716.52 37600.8433 34640.8 20369.5 23955.17 30471.26 19599.23 54690.17 4347.682 37786.17 2516.374 32746.56 37680.59 24650.62 36610.43 24288.96 44189.21 44072.16 23038.36 49172.16664 45542.01 16148.4 55675.11 18243.16 39110.11 10209.62 107928.6167 127441.6514 129198.1933 248066 114234.8489 185735.7 136567.7 184549.48 54426.92 129752.7656 196424.1 257388.5 156234.9 184996.1 84828.44 187574.7375 153935.43 300739.8 296294.3 126546.2325 133962.0729 120889.5 224917.7 199840.68 208458.1 111079.1 292115.1 10114.29901 107080.3217 214183.6 30562.53 41365.09 8548.941 12814.67 105586.5 11197.34 8664.115 38478.65 6036.166 Hydroxytrideca-dienoylcarnitine (C13:2-OH) 389407.5 348983.7 34859.27 423076.4 7276.24 156615.825 213847.4 337226.8 207204.4125 46700.51 352652.3 9857.979 300901.9 19708.83 277475.5 218210.2 245171.4 282060.1 112756.5 445028.7 300783.3 391811.2 105544.7 53828.04 8282.778 8855.167 16967.27 158847.6 50163.97 167207.5 344668.4 420945.6 31627.67 260755.3 47925.02 79399.58 40239.92 345010.25 177676.6 168571 148192.8 33756.45 55538.34 16320.02 84671.29 43931.78 52926.92 36466.59 198494.7 506023.7 260737.5 585389.6 220283.2 245757.0222 151539.4 530174.2 52398.09 490234.9 527199 434782 332392.5 471354.1 228829.8 194296.2 173285.1 218567.8 256934 47140.63 4239.609 559424.8 463432.3 23122.5 141837.3 48254.06 71425.31 10402.36 381002 68317.56 62024.29 36087.83 51424.84 84086.81 24581.67 242148.5 33412.35 24432.65 47753.3 48008.46 40478.75 44482.75 57035.57 52645.61 63113.64 19282.76 49615.45 9887.254 50354.31 59985.88 41322.38 53797.24 39558.19 56154.51 63009.3 67817.77 220454.6 42126.66 23812.94 54216.13 20108.62 45519.1 20369.57 472764.6 430596.8 379158.7 358944.3 331260.8 301958.4 239695.3 475952.7 27838.01 562986.1 304289.8 546270.4 343349.1 281095.9 187020.6 377747 614168.5 293578.3 219530.3 639893.7 508834.4 440759.4 176321.4 574373.5 283724.1714 268730.6 483028.7 6958.814 644869 419606.3 388562.8 60045.32 30367.22 27416.17 338503.7 28358.18 13534.93 79206.91 24332.01 Hydroxytrtradeca-dienoylcarnitine (C14:2-OH) 67180.42 85188.1 51310.87 34156.82 9154.346 40923.3 112954.8 96112.21 163915.7 37503.84 28013.49 20427.09 57222.96 73556.31 30378.02 59230.85 25832.64 66100.9 43838.5 31516.7 24948.45 68755.96 46172.6 28846.13 10043.43 2874.237 11306.74 47141.51 76150.31 54589.07 26603.42 88541.17 34854.51 104007.9 82144.34 6915.639 16973.64 63526.39 52103.22 40386.11 64802.64 15222.61 58185.25 44728.73 22723.68 61916.91 120139.4 57564.652 57747.36 79776.34 47050.89 152083.1 49872.98 142363.8 161396.6 31143.91 69179.19 65564.77 62807.31 51913.08 90847.83 44982.94 73043.96 44836.67 50926.07 88654.17 39239.29 6795.94 16094.93 49386.64 28383.99 18272.02 10408.1 79915.67 60817.72 9250.991 62944.21 37912.63 44252.21 39497.54 83472.7 104381.5 43400.13 12799.64 69733.94 30853.04 54423.4 81126.38 124015.4 56096.57 95625.34 97447.88 53187.88 11005.52 80754.47 8293.679 92615.88 30296.97 32773.5 52388.49 39801.52 94091.51 29639.88 21453.56 10364.65 55196.72 60865.35 53055.23 10498.01 22202.87 22177.52 111592.1 60635.55 107993.5 60929.61 58073.64 94742.917 30033.59 156571.2 86724.66 81981.93 111028.2 124026.2 152934.8 42541.22 28020.89 94284.686 98191.51 88912.78 99487.07 90428.58 69598.54 35678.95 72089.7 129371.4 49507.38 40911.98 28070.1 8587.487 64561.41 97346.63143 56387.95 35490.34 57898.54 13417.91 65069.56 40311.83 9097.634 7995.015 18397.16 Hydroxyundecanoylcarnitine (C11:0-OH) 14977.46 9771.631 10968.94 13383.66 1094.228 1982.961 18457.2 23913.57 7153.469 5948.99 3713.11 2091.607 14338.84 3502.003 8813.318 10672.81 9073.578 20414.97 6294.643 6552.533 7767.05 11579.97 8529.753 10842.32 1982.103 2685.369 3399.65 4266.07 8967.126 15235.39 7375.493 5821.127 8939.529 6446.361 17677.22 2902.284 6671.862 22550.9 8348.321 9407.294 9289.41 10578.38 9347.751 3277.805 7232.703 12152.18 7828.189 16457.8 8755.226 13358.35 16209.76 27656.79 2059.566 17256.41 16892.27 9256.05 7362.029 27443.88 9949.979 27177.42 10335.03 16575.52 8082.575 5397.362 13295.79 11580.62 10392.46 2307.408 356.1939 20445.27 11243.79 7421.788 4050.051 11886.26 10137.85 1416.732 12562.74 14545.52 12733.9 9983.414 6678.105 8984.416 2674.679 8409.676 9896.6 6388.47 7804.482 9082.318 13037.04 11270.23 11757.93 13564.66 9205.963 3307.076 9066.1 1295.426 8787.321 8996.981 7995.246 16961.06 8378.624 8385.076 10684.98 12948.77 7795.698 13162.91 6478.562 12771.22 5750.847 8485.983 4057.699 23413.26 26242.04 28038.49 13022.38 10230.17 21754.46 9825.422 25568.01 8641.746 18318.62 17786 17131.06 12504.71 11788.65 7133.187 25071.56 27189.47 6802.534 6123.476 20964.95 17125.24 5795.321 11682.36 27139.39 22947.3 12817.72 11356.86 151.6113 18934.975 21177.84 7906.083 10683.85 6798.926 5602.299 14659.84 11995.16 2760.581 70.65533 3322.654 Kynurenic acid 2895.121 2549.897 17522.75 2652.962 9322.479 3470.391 4013.479 9637.099 7667.326 3979.91 14711.7 2819.501 14786.64 5110.1 16236.64 2827.566 2564.518 7438.428 30126.93 3737.765 2126.82 16806.39 18586.78 1998.043 9482.977 7760.621 5431.6052 2091.816 13963.39 18484.89 17556.65 2167.802 28059.02 20373.63 20893.32 5106.751 34589.47 9616.358 2089.513 1996.598 5362.174 1263.228 22473.79 24249 3669.516 1238.04 15839.04 20094.88 3123.128 26841.97 1383.8 6115.515 4354.223 3385.691 13019.22 1902.2 3541.851 2644.614 16309.74 2077.461 13403.9 3017.874 3345.671 24386.3 1821.109 4200.159 20664.25 4890.142 3318.726 3887.075 2443.753 5749.5934 1446.435 19372.11 3430.574 7873.394 3974.288 29135.36 25011.67 18686.95 12531.4 15336.24 5011.8802 16031.64 25339.21 2191.26 21055.52 16147.08 18338.34 1623.089 19044.87 19142.56 3446.743 17509.3 21596.2 4942.609 18790.16 1172.207 21698.14 20072.98 21682.81 24816.57 1586.267 25539.17 31085.46 2589.21 20906.64 22719.04 34489.65 3316.165 28069.64 6326.169 6375.286 5701.498 3007.924 4336.674 3960.514 3533.746 5005.859 8671.316 5086.264 1513.202 6277.48 5816.548 4707.29 14119 3861.959 8471.399 6492.221 5882.847 6458.814 4598.314 3228.049 2620.08 11108.05 5649.06 2746.667 5658.538 8529.859 7647.411 6307.871 2953.56 24853.42 1881.656 5385.0356 21482.79 22776.41 19961.94 10753.18 5582.0732 Kynurenine 35727.25 21560.68 15844.76 11267.28 2962.848 48633.51 42868.94 64582.14 46336.16 21933.6 24267.32 5716.788 15262.02 10422.74 27540.11 23926.83 22866.03 49168.91 18217.54 29207.36 16865.25 23480.85 16520.4 22743.26 8040.409 7710.35 11099.07 25490.17 36615.68 32614.18 13328.44 30314.97 17657.01 16668.54 26000.86 8005.807 12777.91 34435.8 29451.17 22366.56 49659.51 12941.02 18961.52 12471.99 16841.5 21648.47 15318.48 23819.12 21644.1 25202.74 21516.94 61578.45 17670.51 22686.08 26169.367 26694.08 22004.19 23122.41 21348.69 40776.2 27366.38 20963.18 23604.06 23404.45 20311.54 20131.57 24317.69 5665.098 2310.823 31390.11 18644.41 6539.001 8626.682 39782.2 41375.34 4996.966 44608.76 26775.07 22905.63 10604.86 22297.96 15674.16 5071.47 10300.58 12968.02 17115.04 20984.75 20599.09 26783.18 21246.48 23016.67 29529.83 31870.83 7477.549 21465.1 3305.532 19311.48 22073.61 14718.64 31242.26 12003.18 24062.06 30260.13 27376.77 279.9219 23867.31 18376.21 23546.98 9968.53 19905.87 12837.43 54888.18 36258.96 47341.79 31911.51 22133.63 39241.96 20761.26 62978.87 18692.39 38107.569 21060.16 38657.04 34844.98 30771.52 30053.7 45639.96 40713.32 45004.98 32944.13 36732.12 58407.12 20530.36 17365.07 56461.01 33817.38 20873.21 47445.69 3765.101 43065.6 62850.69 26443.98 24254.56 9471.58 8447.861 17695.62 12503.18 4356.578 7081.684 4920.663 Lactoylphenylalanine 11114.38 865.1426 7934.393 10753.6 148.3367 15729.83 16479.95 1523.308 22685.29 9918.7 10433.05 1331.096 12986.98 3833.992 6944.607 7940.605 7273.51 12097.81 11771.26 15354.88 6199.318 12562.88 8126.754 7647.907 244.4868 1356.638 1890.004 16113.9 9835.832 12379.91 6606.263 19141.69 8125.723 16593.33 18396.71 3185.443 11123.08 20503.32 30252.1 4646.832 11602.98 7289.415 15968.79 2225.738 13358.56 13577.25 6121.123 10156.54 9236.291 11385.16344 17385.42 13158.79 9309.575 15928.92 16082.85 11390.68922 7237.703 13994.06 8151.749 14137.77 11097.32 24919.63 10964.74 15851.19 16084.97 9366.345 10165.26 521.1737 96.00627 15876.85 1210.922 3833.152 4844.712 11394.3 9493.937 2471.897 17853.92 14253.2 12334.63 3463.583 7268.624 8496.537 1806.858 7929.11 10784.38 11159.16 11297.53 15894.55 8603.861 9593.317 13752.06 10979.4993 18343.32 523.3993 10803.82 2105.700144 9853.647 14923.28 7090.685 14542.68 8632.866 8436.133 9948.919 11541.13 6158.311 13730.91 4368.765 994.093 8158.006 8703.178 2800.037 1462.668 20384.26 14400.55 12997.83 12703.06 15641.48 10578.4 17372.52838 5556.155 1488.28 14178.23 8908.309 8774.361 6590.344 5919.467 24453.62 21417.03 12964.79 11811.6 23344.19 11696.58 10029.55 7795.476 19552.94 15671.55425 22914.81 21044.94 522.152 28355.2 14842.51 15185.2 9319.377 4701.268 3186.879 16823.88 6419.658 1712.612 1132.641 1305.3 L-Carnitine 2283727 2629670 1612086 2707313 1164885 2428561 3152760 3214911 3249397 2510343 2668618 1765913 2409010 1339569 2103044 3530443 1825980 3178231 3162149 2961944 2387029 2542992 2487511 2158749 1933407 2695577 1960048 2068086 1429934 2357829 1213552 2138076 1620753 1622801 1580265 2147599 1877341 4148629 2840714 1651075 2941479 2157689 1713103 2083897 1816172 1669650 1906187 1907730 1708374 1345485 2318852 3438654 2000945 2576833 3315172 2049484 2767346 2486713 1414137 2460687 1851052 2484976 2560172 1823222 2435551 2037970 2330944 2438517 1285648 2920399 1540460 1453597 1663574 1771523 2316748 1658188 2245939 1863569 2152644 1989160 1527705 1332955 2190447 1110625 1626401 2058316 2351173 1670040 1763649 1581848 1782831 1270144 2087940 1963153 2187133 1455706 2076350 2159255 2296570 2385651 1894827 1513640 1821069 2650347 99222.37 2287252 1347283 2123612 1539719 1391569 1983679 3187619 2415144 2979900 2413107 3344540 2318820 2155482 2932525 1630012 2623569 2793827 2603152 2482382 3346777 2132935 3214081 3114423 3061520 3728351 3318111 3500779 1963032 1933872 3727341 2724139 1471332 2427645 2173283 1797635 3487720 1841954 2341735 1534995 1174882 2253310 1126432 2011944 1753597 1894176 Leucine 10350898 8455524 12969975 8879943 2282628 13559797 13115359 15051098 20396234 6949800 8599481 683162.2 7958796 5301023 8494988 14133033 9407028 14050908 10872359 16081730 6784191 9948089 6685477 15538603 2532002 2775543 5004014 16628861 12644240 10744231 5325477 11547730 9049958 6860681 16003228 2872228 13273347 18014867 9206952 7803811 16867963 8362642 12919127 6287084 14824804 11885791 13410528 12659680 9956385 11029196 7599799 14248222 12166517 13687229 20193429 10195068 9669380 13603509 7025051 12447568 14772508 10194903 11204356 20172072 10694823 11272612 12201408 2859997 1694919 10400912 9692203 3375548 4633620 17752669 13759864 2169522 12628790 11569697 13243201 6098851 13933198 11192773 3247260 4500510 6724203 8505913 7035945 12388463 8687721 9711506 13433977 12977898 12948704 3199380 12424397 2083980 10832954 8257203 6502717 14206746 6063871 9842071 14461707 11961337 10089.07 8597300 6494289 14264388 5178394 9897776 5783971 16457649 20656563 16213485 10448612 12741272 12494845 11449121 17198037 6284745 17936631 13519274 14074134 9386719 10109079 8266513 16773318 17239088 10423978 11012291 9280361 15498448 10762167 12506827 17215104 12225873 11613685 13770832 2110205 13046124 14386642 5733066 10978013 6354952 5308234 13365272 6077215 3965185 3926106 3530912 Leucylalanine 28882.02 25593.93 12435.57 11063.66 91.22029 19861.16 83287.23 46641.729 83008.69 15648.13 73049.82 17264.29 58333.29 18140.36 12481.54 25490.76 48496.47 16919.22 11963.65 36738.97 34131.84 49166.07 14739.16 13622.05 3123.918 33.48027 12123.96 54430.14 33953.96 74401.89 1013.957 29071.203 20584.81 16370.21 31967.8559 3965.873 2339.807 43288.055 4698.394 21190.72 60859.13 22799.91 8545.097 17124.26 3866.136 81630.17 16702.97 4371.798 10828.52 20869.26 43748.51 14329.91 67793.91 15645.53 23359.69 23602.95 12920.44 32223.81 21212.44 24412.57 68499.5 16193.3 1569.887 28352.68 63311.47 4519.814 22558.62 1909.505 11191.67 5008.961 17167.71 4825.916 3478.284 34569.346 16413.71 4443.362 82203.22 38897.98 50047.39 17159.82 21293.32 9545.335 13142 7365.929 28000.41 28328.72 42349.4 65297.61 35678.84 27180.71 8948.497 50461.51 14528.19 1523.786 30465.66 4764.06227 42706.75 22735.53 31310.8 7231.432 34401.91 46948.88 35710.25 29605.923 3304.613 12898.18 16212.07 31593.64 3858.251 14038.22 25669.24 73559.42 41916.245 25006.13 59684.27 9696.228 55589.14 39480.62 45508.596 22288.96 72290.15 70562.53 34872.2825 72266.18 36565.12 36343.93 20207.87 24307.37 38542.48333 37848.64 21490.97 43434.235 48190.72 50473.25 49385.19889 71131.41 7144.509 40244.45 23219.84 34344.92667 41562.58 36392.23 64400.52 21930.77 2886.992 81118.97 15457.66 12920.61 2278.136 2010.28 Leucyl-Cysteine 91056.53 79332.47 126657.3 92474.6 60792.8 84976.22 106096.3 199203.2 119494.9 114959.1 52775.34 33473.4 60192.05 55622.64 54647.08 52587.95 53320.35 167003.3 81488.29 102411.1 64695.51 97818.18 95198.13 178171 70748.14 51102.34 92505.67 123873 121030.4 125487.8 87057.17 115527.6 151781.7 68563.78 262147.7 32441.63 187731.9 118117.7 103997.1 63552.38 131127.4 137700.7 168872.3 83664.56 127253.3 132771.5 128109.8 246078.5 87709.5 135696.1 94016.05 132558.3 133226.2 59937.6 56975.57 55911.47 128421.1 116284.5 93294.29 168907.7 64604.33 86459.75 86986.58 61516.65 77604.2 86695.76 42610.33 25364.93 15463.61 59941.2 41542.22 108536.5 52134.66 207992.4 193226.8 35717.81 52281.66 171113.3 185937 104625.7 121961 120624.8 64500.14 63186.39 202343.4 108171 121036.3 181006.2 170012.6 241626.8 145510.1 225391.6 220753.4 51297.3 192748.2 48121.91 116825.8 194030.1 139148.5 199418.3 152243.5 162490.1 119726 166620.7 122154.2 139345.5 109512 176790.5 148410.1 99493.72 93922.02 134430.3 118095.2 191617.2 59475.13 96982.28 147750.4 50569.54 162918.8 69790.07 160576.4 142546.9 145018.4 182296 146791.9 58650.44 135805.2 123878.9 206740.6 132741 150071.7 114573.1 57564.61 49496.07 145954.6 116475.6 82587.95 107215.5 28812.49 173362.8 186214.2 84544.87 173894.2 93212.06 93915.73 120673 171158.6 55321.23 23430.87 104729.2 Leucylleucine 16461.77 26897 8558.168 9781.946 2607.74 9644.644 35627.48444 35016.32 44728.21 8703.276 14505.82 3574.961 38866.67 5284.709 2134.571 23769.89 11129.66 10835.15 15886.8 24519.99 20431.71 19266.31 31234.09 14126.59 6313.454 10758.12 5287.364 33954.89 31419.17 24368.735 5415.64 28776.09 2421.896 10849.56 21471.47 9297.838 10231.56 31919.01 22694 25758.46 27657.65 7193.615 22060.6343 6873.457 11129.94 16743.18 17941.3608 18478.04 6409.209 42646.33 26310.59 16040.66 15930.8164 28574.36 24638.969 21719.76 18861.53 16581.12 13193.88 47859.3 49613.81 4277.368 9842.979 11900.81 13063.06 9558.6 21617.67 1078.374 3182.826 20593.39 14582.05 23626.41 4110.581 37438.4 17544.32 1976.388 58737.8 54574.37 23961.35 3558.348 4468.167 15406.95 4283.194 5832.922 19863.61 24595.53 7564.021 35050.61 20053.2 29575.22 12894.67 28130.71 12600.95 6614.216 6499.945 2245.967 9476.834 18089.98 9353.796 49493.96 17981.14 13614.07 19605.51 43075.48 7874.103843 13630.73 11351.97 4838.553 13153.11 16692.01 6898.033 34217.72 28751.47 18612.7 41451.19 9306.799 27184.847 38045.6 45389.74 36584.7 43285.26 39004.91 30452.891 33285.2 22877.76 14323.86 21147.97 42166.39 28460.57 42284.86 15173.31 28925.71857 15760.38 54504.11 42970.74 49132.35 4961.876 27880.49 822.4679 27268.43 24790.81 28375.42 35118.99 13730.32 4636.993 22067.916 9316.182 2355.459 12754.35 7553.059 Leucylphenylalanine 53575.67 99217.81 54997.9 53581.17 19532.55 37702.87 127048.1 255897.1 125062.0756 88372.92 150477.4 11681.57 142557.2 19943.31 23721.55 29843.48 138014.8 25615.63 90737.25 143866.5 73023.37 279948 74204.28 110439.9 26101.02 52541.74 6608.537 119627.6 230251.8 117406.2889 66744.5 158653.7 2352.467 40875.6 210808.9 39327.3 60733.97 125940.255 20287.99 44318.1 94171.29625 140703 272226.6 43680.39 300716.6 299858.2 63304.24 114344 29358.08 89446.81 201386 25477.08 184163.9 161616.3 161171.7 179088.2 52881.02 178024.9 129921.3 89642.53 97782.181 21408.15 69608.69 111215 309217.1 26569.74 79865.36 19819.61 17982.66 67835.11 116125.7 22027.01 36714.83 260284.4 69986.39 9476.552 82547.519 197427.8 172819 34583.08 31163.47 38043.02 26055.72 35848.62 95284.7 64363.32 45763.01 166954.2 154936.8 284094 62793.54 205589.5 180643 31749.97 27816.49 9667.633 87864.33 110631.2 78684.22 307330.3 97406.29 59689.5 116592.8 248861.7 37286.22873 42658.19 98222.48 22626.67 30157.02 67823.27 48505.42 171695.6 151308.97 97402.11 51185.75 93603.77 102115.9 91085.86 197128.6 145492.6 68256.86 140594.5 189845.9 227526.3 145561.3 48405.4 114724.6 100006.3 261311.2 155574.6 26649.83 248761.3 100462.9 69921.95 284716.9 220103.5 19727.06 128857.7 10639.41 88137.93 204748.9 210806 240482 26578.16 40857.12 180547.8 14151.62 10573.05 24553.09 20150.87 Leucylproline 120768.9 88435.48 72910.54 164393.8 14504.97 156785 146838.9 200682.2 154144.7 134696.2 108143.2 36583.24 95252.03 57053.57 106482.9 137533.7 94870.22 236550 79222.05 138168.7 71332.85 138109.3 60412.98 127473.1 26294.67 25764.59 43166.01 115286.6 197696.3 177355.4 64481.08 122776.3 123301.4 93372.54 108333.3 22499.48 62590.48 127667.6 107395.3 56411.47 134130.1 47399.55 136202.9 43296.35 82786.79 73297.07 89678.69 115154.5 127058.3 92678.81 108388 199355.3 133262 150231.5 192108.2 94777.91 117158.7 129052.1 104843.9 108304.6 134369.3 107584.4 185885.6 73733.59 117309.6 88390.87 81732.51 19954.98 8985.119 142902.1 105445.9 25686.81 25225.2 116236.5 139335.8 27555.74 108918 106380.2 82776.38 50348.53 77547.52 62218.03 35757.03 40616.83 110130.3 70743.28 82825.66 92514.07 88407.96 115009.2 97264.55 147563.3 170346.6 32249.2 86347.93 16967.96 136498.1 99656.8 57837.9 116444.2 73693.98 113174.2 121620.2 84203.45 140.3708 102795.2 55721.85 69781.54 40034.44 89975.28 34483.3 200432.8 174854.5 140566.3 151325.8 132066.9 171489.6 131445 239538.9 141630.3 166423.5 117014.3 151928.3 168436.7 116706 69952.24 153561.2 108382.5 154461.8 172997.3 115227.6 104714.2 97801.96 100034.7 260918.7 95258.99 75018.6 131288.5 17640.31 101519.8 156940 104123.7 62790.6 32313.31 30694.17 99706.67 65292.59 19080.56 26359.55 19966.48 Lysine 15552.69 21800.04 15473.01 19720.14 10322.37 29583.77 30642.99 33708.01 43621.89 8144.776 14787.58 6011.491 13287.5 18155.18 19627.48 33494.27 13630.44 31815.12 26209.3 30970.34 19822.83 12445.32 9702.482 29027.99 21866.41 13233.87 11939.47 22150.52 36522.61 20363.93 12590.08 13623.16 39199.13 10753.89 32702.52 13242.34 28549.73 42833.42 17874.84 17803.18 42693.58 21062.7 23065.66 16626.84 22848.9 19257.96 14472.59 33474.55 20815.66 17884.01 19025.46 28931.1 23834.64 27172.79 34487.23 17499.12 13227.62 24758.34 17466.66 28401.85 19430.07 14003.05 15411.48 28039.49 17967.72 12544.77 20582.65 12787.72 5924.863 23147.46 18325.4 8438.258 10980.04 49110.11 25784.59 6490.762 25736.05 13220.46 18304.84 11468.95 21941.13 43557.46 18486.06 11928.98 15773.53 20675.23 11611.45 25566.55 10564.3 28080.76 22695.31 38850.2 30955.5 14288.33 17788.15 6786.382 14817.49 21618.4 11604.11 36627.32 10382.18 17944.42 29520.77 23414.04 9214.895544 13873.41 13751.96 28218.37 21762.11 11917.59 27346.16 32444.32 39490.45 32113.28 16839.02 26748.02 22239.26 18473.93 38555.23 10197.58 33535.12 28251.57 33045.93 36697.78 20035.39 13219.28 38892.27 38977.94 29370.69 18756.42 21266.41 36734.72 14998.48 14120.43 33822.53 20996.63 18836.8 43286.34 6574.192 31035.23 28461.55 16037.66 16345.82 11051.13 15953.18 19137.83 24496.72 8699.346 16418.83 9491.688 Lysylasparagine 3792.24 2310.303 5554.125 3514.017 2533.145 3066.916 4658.065 7197.238 2532.385 4007.072 2139.528 2048.277 2142.803 2576.814 1791.775 2484.533 2125.305 6351.482 2684.246 4450.501 2434.839 3084.886 3195.565 7434.686 2573.313 2962.745 3819.968 3711.464 6143.091 4136.539 2755.496 3653.511 5755.866 2507.184 5857.6404 1831.844 7795.493 4312.308 3493.702 1475.144 4004.219 5730.701 7108.605 3383.847 5766.266 6271.036 5169.335 5614.6447 3325.191 4905.851 2816.424 5161.494 3720.85 3083.308 2707.321 3405.208 5749.221 3967.836 3283.149 6350.774 2165.838 3504.138 3140.42 2269.47 2964.208 3140.123 2039.883 1343.244 1111.471 3604.964 2335.89 3867.01 2505.688 8467.655 8309.646 2163.52 2348.48 7645.71 8017.574 4158.19 4791.941 2486.079 2463.542 2611.324 9480.29 4677.384 4984.554 7732.412 6908.476 6559.202556 6225.18 6837.3522 9800.54 3030.947 8108.466 2060.38 5151.823 8341.235 5745.621 10020.17 5405.459 6698.279 5513.822 7296.319 3683.857 6621.48 4324.706 7769.181 6516.542 5350.842 3441.085 5028.386 7547.535 7002.608 2455.131 4242.511 6364.888 2098.889 5811.534 3367.485 6183.566 4303.509 5641.736 7134.574 4668.121 1763.718 4101.914 4988.55 5701.629 4878.762 6070.379 4629.704 2572.817 1926.391 5270.331 5574.742 3730.482 4672.455 1442.146 7911.739 7772.143 3622.34 7205.542 4351.065 3646.206 5516.044 6727.321 2700.102 1332.543 3883.041 Lysylmethionine 19056.11 17247.62 22421.82 18652.08 7147.177 19887.21 24810.53 59687.8 20988.46 22265.6 12408.08 5853.72 13860.77 10615.26 11347.51 8369.484 14357.04 37163.87 14599.99 23560.62 10376.54 20799.35 17811.01 30650.87 8158.257 5719.31 15222.78 25238.36 24790.52 28145.14 13461.06 24172.54 34533.35 11705.9 47715.55 4135.311 23779.46 27710.27 16412.31 12348.13 28774.99 20595.84 30207.27 11400.05 32681.82 27200.59 23553.89 47026.26 15924.89 5855.412 21400.54 28695.63 27626.87 12089.61 14986.97 13887.89 27995.19 20842.05 19181.48 32920.33 17387.46 15616.86 22186.04 17541.82 12049.91 22279.47 11790.28 2892.079 1726.833 19383.54 13003.87 15914.58 7387.001 46776.77 30889.71 4233.521 13585.38 35778.06 26506.72 3873.246 23537.71 18455.27 11130.61 10465.18 25365.32 14734.06 35577.04 38226.66 30522.39 57703.81 27736.52 51043.26 40728.21 5929.601 39277.32 5523.967 19230.88 26781.58 19503.14 38325.21 29862.98 24443.61 23652.76 35365.5 21496.79 28107.14 15033.94 31245.57 23296.38 28616.66 14232.49 34208.04 29178.17 40757.63 13438.71 21291.26 25069.68 14187.4 34486.09 22700.33 40172.47 29814.64 28127.62 48806.4 36862.69 12703.93 30290.66 24544.47 49322.54 25630.97 33845.3 24958.13 13780.28 10211.72 29384.69 28876.93 16117.66 15466.76 4804.954 38773.14 44826.85 14955.76 42475.84 13274.69 10339.64 26259.07 26373.71 6327.474 2881.491 13266.96 Methionine 253474.6 243774.7 326776.9 266929 128663 470052.6 482155.6 334886 382275.7 247984.1 241626.3 102115.4 263624.4 275371.1 342855.4 329017.4 230516.7 569578.2 315128.5 436189.7 227476.9 291928.7 198631 368974.1 128370.8 151824.2 214517.6 551205.9 398508.4 291994.1 176864.4 377778.4 261026.2 231874 465275.4 129723.9 402642.8 527637.9 348602.1 239650.8 409573.9 285951.9 317316.1 226637.4 355276.8 241763.9 340243.4 296302.1 312842.3 268430.8 282546.9 523676.6 311333.8 422962.6 450220.9 262327 226066.7 432498.8 295112.7 380309.5 325910.6 344597.8 404461.4 531899.1 255166.3 293550.5 377356.7 102617.5 99772.94 268485.5 272395.1 114788.3 149074.6 469867.9 342045.2 95748.07 368176 240675.9 338966.4 180385.4 384081.7 293282.8 118810.2 155011.1 215603.9 273935 230787.9 275334.9 291268.8 262564.3 302820.9 329664 433172.5 133613.6 265763 73350.79 172997.7 233988.1 143009.7 364864.9 138203.4 266337.7 543936.6 401023.1 4432.763 260525.2 170041.3 449875.1 174968.3 177747 221393.3 568826.4 475926.9 421188.9 287393.1 418529.5 360149.5 361501.2 578255.8 221099 548291.2 386830 448418.8 293686.5 335361.5 203189.5 451276.7 481634.8 412802.8 374046 418388.7 497517.5 350504.8 345146.9 540243.3 313067.9 274183.5 458521.6 141111.2 508652.5 395819.3 287482.6 206239.3 217036.8 195748.5 419525.8 119156.2 174262.2 184929.9 118620.8 Methyldecanoylcarnitine (C10:0 M) 218760.8 207310.6 80254.1 182128.6 10057.77 32310.82 163765.3 290327.1 86194.5 81205.53 57870.38 12785.32 204985.8 39335.53 127189.8 111834.6 114153.9 295561.9 77100.16 76491.99 96133.39 164126.3 134359.7 97735.41 14712.38 15656.63 22636.44 68093.5 93644.7 231478.8 107148.5 88285.16 95867.4 100382.1 108760.1 41596.73 74446.25 318115.9 82165.64 109189.8 143455.7 63705.09 112851.1 24549.14 122634.5 73913.64 55241.69 128549.5 160590.6 215273.4 168198.2 285990.9 60971.23 214089.5 202087.8 168412.7 58253.62 262944.5 187193.6 233312.6 156763.7 203574.2 108674.5 78005.99 176813.9 216131.7 125512.1 33407.73 3966.163 227639.5 134044.6 43527.48 52451.7 100647 131561.8 16097.57 144542.1 113406.5 107655.1 54843.84 55114.28 130201.6 24159.42 134024.1 80640.14 48964.16 94225.62 119577.9 77726.05 114536.6 111195.8 134823.7 125340 22817.28 100893.4 9181.213 81967.2 112628.6 75698.65 142289.2 71972.92 97618.53 86304.18 140347.6 116761.9 111006.5 35574.8 123495.2 48735.79 64649.51 27970.81 250633.8 272605.1 372505.2 148124.1 157368.8 307373.6 122895.7 280843.2 53501.2 268031.7 197550.8 231239 184671.4 134857.5 98603.85 224256.1 311236.5 97435.79 55618.23 272847.3 213799.9 82233.15 122236.2 343070.8 230115.6 192472 125390.2 6688.993 152783.4 269225.5 136419 120029.3 48571.32 27521.76 247352.5 66105.98 13889.19 6600.878 28107.5 Methylheptanoylcarnitine 3184570 3616408 1854720 3644552 669296.9 3891524 3517006 5896734 5305631 1902128 3253008 484365.5 3316432 960764.4 2724071 1992044 3611376 6480328 4694676 5067336 1713156 3399737 3918292 2496057 711049.7 732196.7 1094407 5156949 2139982 4776257 3647283 5297969 2141940 3531168 3311578 1397024 2513509 4918964 5479964 2776775 5174427 2010237 2744887 987294.9 2256083 2232676 2002377 2944667 4128162 3919654 3351118 4407378 4730482 2426918 3663444 2533296 1906577 3944060 3504998 6112713 2960512 4585124 4200986 4411309 4380750 4386902 2373726 840851.7 247185 3324572 1954204 1336992 1536400 2352564 2829523 628337.9 2409050 2467444 2607886 1654001 1727463 3677645 917690.4 1947137 2364468 1625507 1983119 2511332 2190651 3158189 2058680 2506688 3139414 768346.3 3003818 540049.9 1834426 2856492 2163851 3097345 1953145 2364173 2334038 2819845 4783313 2310138 1278886 2893818 1790392 1674467 1181933 5328305 4508187 7039820 2669787 4151095 5353516 2521477 5815466 1070770 6035555 4194549 5084524 5625270 5564410 2367465 6288207 5766520 7246230 5437389 5754279 3740090 2422649 2595730 4908049 4072830 4157820 3796933 479490.9 5826020 5918284 3695253 2084450 1428043 1291817 5290440 2006188 823196.1 1043577 1422269 Methylhexanoylcarnitine 3276897 4366642 5476589 3401076 1319206 1130164 4407762 5527011 2308930 3971056 2469702 1459881 3832304 2140991 2177915 2519857 2245965 4585547 3306784 3236787 2041076 2670406 3579017 5874019 1738884 1643434 2224906 2372187 4851807 3472404 2422707 2842874 4190775 3806666 6321289 1414381 4781694 4868581 4521875 2148391 2934156 4433517 6508371 2404573 5118590 5966966 4550696 7033021 4265063 4046997 3835830 5124146 1204852 3431017 4721875 4243271 3837580 3662532 3375313 5383593 2607499 5449286 2513778 3001487 4978011 4776770 3835728 891833.1 831497.2 5268857 3624344 3531510 1454459 6211710 6462562 1730899 4381320 7366116 6288503 4877422 4302181 2944750 2347456 2471383 5070150 3740302 4573756 6543609 5178875 5669802 6370153 6655514 6222902 2091002 6085576 1278933 5392902 5572125 4985697 6287981 5314746 4940633 4700809 6718587 2138585 7338068 3235829 7845430 3674153 5348989 2443044 5809157 5690255 5695635 3867682 3183310 4584899 3335819 5975123 2969315 4450921 3999972 4204400 3462818 3135559 2149762 5443594 6227962 2442489 2577830 5360278 4173533 1482671 2410867 5729568 5217354 4495696 3445612 914687.4 7147662 4725501 3316059 6151906 3926477 2727490 4097651 4669859 1774860 366448.4 2782487 Methylnonanoylcarnitine (C9:0 M) 312533.7 441627.6 152942.1 129393.5 34705 322758.7 327949.8778 433999.1 906277.8 534327 446215 133512.5 609293.3 164489.2 264837.8 411629.2 505093.3 260086.9 101131.4 426533.8 157870.3 455679.9 162646 162827.8 25818.38 94867.57 141402.3 195528.9 83466.33 771765.2 99987.11 454460.5 242297.877 312370 474416.9 48604.58 155084.9 448170.1 381813.5 253817.3 239770.1 236379.1 595501.8 128258.8 154223.1 460773.2 88094.58 113713.5 115146.4 528437.6 873638.3 864886.9 390652.3 386714.9 468422 585568.2 380944.2 342616.2 301874 279237.3 320413.0778 785558.8 152757.7 569567.6 541942.6 298882.4 455033.3 39829.83 45176.66 296857.2 145397.6 166940.7 126084.5 647394.7 317183.5 17157.27 302300.6 245223.5 404295.1 45759.42 110350.1 77004.14 130543.5 119269.1 105332.1 266411.9 196907.2 424841.1 218012.2 278413.5 183934.9 207909.8 409055.8 39526.47 386969 44786.05 539915.9 258203.8 215946.2 704224.6 390844.1 419910.2 278223.7 307877 24469.01 231505.4 254706.7 162124.6 140282.1 48831.36 158062.5 474182.2111 411242.8889 749438.7 453337.1 538348.3 682519.8 379911.7 665674.9 846055.3 255217.8 747424 761942.9 360451.6889 362177.74 246599.9 497968.2 336862.5 905079.6 191034 339893.5 431369.9889 333283.5 513741 470399.9111 749328 264776.2 762544.8 54023.46 543075.9 492168.8 449409.6 320370.8 124791.8 34228.28 324344.4 50146.69 48192.6 68704.42 82857.95 Methyloctanoylcarnitine (C10:0-M) 16451.33 16984.31 26269.9 15011.45 6760.751 6224.824 18840.57 28686.4 13679.61 24066 7034.346 5944.201 14762.37 11201.31 8555.412 9310.485 10906.09 29157.22 10037.6 11577.65 7583.981 14956.72 14529.12 35278.55 7523.85 9187.27 11381.64 8928.638 27340.37 19410.29 10646.86 10351.95 25535.77 10505.46 54422.52 4748.869 27677.03 23370.6 10723.75 10295.04 17159.84 26895.4 27618.15 10004.83 33491.38 30539.71 22741.46 49656.06 16333.02 18950.89 16213.44 23244.7 8103.982 12697.48 19037.39 12999.61 22450.83 19067.28 16564.12 25896.64 12411.11 18914.11 12366.06 9570.478 14789.54 17590.51 10578.03 3040.896 2383.117 17105.96 10561.95 16710.48 4585.96 33687.57 33611.98 5158.306 11102.86 37889.79 40418.68 24186.1 22087.27 12369.26 10646.3 9457.378 31657.59 18434.12 31019.02 30512.42 32089.59 42059.63 30780.19 42697.72 35581.27 7640.703 36396.63 4770.709 24746.26 32542.05 22908.12 45757.3 26876.58 28080.48 24745.49 40645 12157.87 31325.71 14302.37 36219.89 19364.08 24710.94 10648.48 28770.05 25539.15 30655.44 12244.8 16039.67 21147.79 10406.33 27008.94 18630.94 27655.68 21227.12 22957.3 22005.6 19287.63 9006.944 29026.25 25125.06 15610.05 9527.929 26721.09 22048.48 8069.035 9893.461 24662.87 21508.88 16954.6 15674.06 4863.874 34894.99 26764.01 14456.26 36161.29 18229.08 14961.64 19815.14 31747.24 9905.372 1018.776 11276.95 Methylpentanoylcarnitine 357105.4 348092.4 89178.04 400029.1 21158.92 99900.14 315200.7 599278 163611.6 111470.1 131097.2 20058.16 399767 48737.86 253025.8 232580.6 303505.6 525010.2 159681.1 191782 227295.9 213634.1 227963.6 132497.2 23729.53 22585.02 41594.24 124521.6 123118.4 386655.2 317402.1 142500.2 99590.4 215736.3 97860.58 96007.63 135601.7 396303.6 230852.9 240561.9 289646.5 70275.84 160519.3 41138.16 209889.3 103815.6 94935.04 117941.9 345372.8 534826 267683.4 464300.1 97791.77 383721.7 350856.9 237444.7 111700.7 381768.9 424671.8 402948.4 396267.3 418785.2 360174.7 143620.5 363351.9 421698.8 337076.5 71323.07 13366.65 592237.6 283807.9 55293.67 137089.5 114844.4 209882 33191.82 385297.8 159676.7 131244.5 82737.66 87471.23 261146.8 6872.873 186986.5 110428.5 66991.74 95140.12 162233.1 102846.7 138058.2 134566.6 157813 248322.5 45299.01 156135.9 25320.02 104171.3 164668.8 294153 125597.9 93385.84 126259.5 163131.3 190608.7 282694.1 142279 53265.88 170217.9 67313.33 125976.6 50642.81 490837.6 500220.4 513422.9 342093.9 372524.3 454179.7 347810 555418.6 59104.85 494903 437716.4 423324.5 320869.4 319039.9 255919.7 446506.8 482323.2 267608.3 145630.1 476565.5 386759.4 220302.8 238081.9 480207.1 439635.7 347599.3 252904.5 22500.71 618006.6 544285.3 290385.6 157343.5 60881.46 52760.78 351990.1 58877.33 26390.07 23977.74 68814.57 Methylundecanoylcarnitine (C11:0 M) 10397.16 13513.23 4474.229 3134.853 1113.308 9884.381 14159.0758 8665.6446 24788.01 16912.81 12338.49 4901.557 16905.2 5313.274 3178.928 11859.55 14174.18 6925.828 2544.318 12383.4 4609.366 14239.7 5225.631 4921.4 637.5111 4219.852 5162.292 6566.627 2336.633 23665.37 2948.977 14340.83 9364.608444 7854.625 14706.48 1222.739 4132.572 12908.0148 9710.756 8324.073 7194.073 7577.487 18967.42 4350.255 5591.773 14297.91 2778.879 2487.289 2844.481 14867.22 25732.67 27773.49 12031.64 11192.16 14619.91 21868.31 12469.98 10496.78 9419.388 7601.886 12461.83186 23000.41 4838.305 14497.95 15973.07 8728.346 14466.99 1600.064 1516.82 8809.981 4398.719 5721.549 4445.034 22315.23 10637.06 65.03448 7760.68 6669.423 14724.76 1153.504 2825.834 983.7762 4375.663 4081.742 3348.672 8368.496 4964.095 13446.1 8043.872 9820.211 6289.862 7136.874 14483.31 1076.007 9954.708 1958.466 17624.01 9018.075 8513.289 24980.35 11671.58 14680.02 8721.964 11527.24 3055.747221 6817.757 7922.123 3699.249 3363.791 870.1823 5232.566 13888.13471 15866.56975 24019.56 12883.63 12069.4 18867.5 11803.53 17486.41 13349.32689 6112.434 19128.78 19853.69 16345.72183 12256.93643 7804.962 10657.03 8026.606 26788.78 5997.269 8416.813 17965.60875 11284.81 15929.7 16143.848 25111.3 5555.349 20545.54 1956.492 14168.97 12753.29 16819.24 10945.59 3674.247 791.5832 8935.646 1020.709 1700.8 2630.327 3006.738 N-Acetylglutamine 9464.929 14589.48 10602.5 8515.261 2899.878 7127.3 25937.46 21605.76 13316.23 6367.771 9424.475 2440.525 14319.64 4145.891 10674.81 13285.75 9289.499 14610.5 15355.48 11664.05 9594.649 12761.12 20704.24 8603.522 3373.694 7810.911 2179.764 9894.919 10676.69 8835.175 7557.634 9970.682 3604.869 11396.36 22065.86 8632.403 10942.98 23631.77 18151.35 11781.36 14325.13 17177.55 12076.74 5006.738 11337.82 16550.78 10767.76 19008.61 28356.14 12409.33 29610.69 18363.38714 5731.792 19315.88 25654.4 16574.42 7658.434 14182.02 12372.59 29383.67 18928.51 23565.67 11203.87 12059.06 20133.51 11949.43 15234.76 5891.555 1318.982 10191.91 11643.92 6205.654 5347.697 7647.784 11677.06 5230.977 16627.88 11853.98 1938.135 16812.93 11546.27 16402.59 4789.784 9942.936 14986.01 10550.87 6370.322 12378.11 9960.239 11378.97 11297.58 10042.6 9831.807 5977.247 12258.41 3157.915 15272.44 12816.58 12180.73 22663.74 9654.282 9765.746 12134.53 13029.88 11734.29 14257.42 6195.899 10677.17 9370.281 9964.869 3669.954 24291.38 18957.32 13651.19 19102.83 12711.1 23117.64 13197.58 27932.77 3040.655 16915.49 25678.99 22062.6 12325.82 14994.06 3859.681 32017.69 28042.98 13776.83 12892.81 18345.68 20121.83 7303.747 17675.31 28383.17 23922.16 14948.91 16975.57 2416.412 19379.3 24824.22 12044.72 3658.692 9896.849 8807.72 15248.84 15406.45 6697.786 2632.725 5582.236 N-Acetyl-Leu 4742.605 9606.245 1173.204 3457.841556 1288.00181 10168.11 8500.9075 11399.39 8830.4835 1056.603 7221.424 1651.15863 4579.664 2221.954722 1641.935 8728.533 3917.1851 11672.28 16195.84 14238.78 1314.428 4753.5796 4035.284 5882.557 1206.400256 2096.209889 502.0981 14686.96 5335.6233 10532.9 893.4325 323.7275 6419.264 7792.097 6817.147 3547.775 17956.14 3048.882 8043.787 10129.68 12501.93 3567.512 1069.744 2365.41631 4643.895 2735.622 1750.35 4506.751 4896.3952 11220.12 4174.533111 11644.28 3705.21 10958.61 6750.8341 4772.835 7801.407 5256.7419 3857.9044 11854.54 6651.771667 3372.46 7714.157 6785.1782 6182.0479 4395.7796 1379.154 1405.388089 8124.749 6540.2636 4927.51 2988.665 1796.051811 6744.6769 5593.018 17672.27 7642.754444 3765.302 5051.529 83.27526 1187.445 578.3222 322.6178 5942.757 9784.172 9944.488 5333.181 5759.7659 1872.569 2748.377 3332.08 2450.883 10171.44 221.1003 10187.85 1322.850977 3018.306 13629.32 3697.73605 1337.609 3515.37138 1619.503 3277.675 12774.36 3495.39402 2133.668 2697.568 997.7958 5040.4422 6097.029 2724.03133 8549.352222 10625.94 6777.841 2252.767 6264.843 7140.1534 5256.3529 6698.822 3834.346 3707.073 8981.443 6666.582 1777.659 9992.166 4856.45 1137.729 8193.246667 11621.75 18819.89 9360.847 8339.677778 4800.248 5937.2013 9264.821778 6658.5535 5470.853 14900.48 2123.61671 17625.32 7733.1804 3115.188 2423.739 6603.841 1268.833 20146.15 652.3154 1979.672222 107.0608 2037.999 Nona-dienedioylcarnitine (C9:2-DC) 62631.98 111921.7 29475.61 45982.46 4015.839 83617.48 164373.2 120064.2913 156275 47229.55 132557.6 7315.049 108926.8 18391.55 82094.57 46125.38 62019.63 149043.2 163245 150731.6 21214.8 18938.41 108737.5 67542.35 4157.754 7853.854 16322.67 186564.7 49236.25 141160.7 131256.5 171363 34942.74 138928.1 71655.59 12937.05 47818.66 65439.75 213105.6 104577.2 163993.3 38494.26 31674.22 16779.04 87721.22 52556.71 45511.54 73321.25 143921.2 198193.8 21904.19 60828.11 125975.8 58132.16 94498.86 13443.38 58890.31 90762.32 80904.44 155167.3 92492.88 92981.95 143118.1 158785.9 129999.5 146292.5 72177.71 33411.76 1393.744 8900.714 5467.271 23101.47 14397.62 45046.55 73406.56 8781.034 114135.8 67474.81 78066.6 24904.21 38762.84 107773.7 21614.96 26445.34 53518.71 29851.91 48862.81 36528.03 50527.16 49583.47 58913.94 56455.34 69076.44 13812.54 49980.51 3513.797 56634.03 65071.78 40076.39 62708.7 22542.2 50585.01 63040.99 78190.52 109808.8 39728.71 21138.13 41929.41 15743.87 60496.54 16941.62 58586.66 44803.67 79735.28 105352.7 94304.75 127774.7 88846.48 112273.6 31290.57 86851.53 142134.1 133719.4 119000.4 106984.8 99136.26 131295.3 111583.4 107384.3213 116518.4267 67857.97 59108.4 44654.32 91990.47 171632.2 57158.25 91435.95 69440.39 2905.03 59162.11 102628.7929 60213.35 45392.22 31690.3 25896.04 122825.4 31684.54 10857.55 23823.6 18889.91 Nona-dienoylcarnitine (C9:2) 48572.18 65632.65 56458.27 43625.68 8969.541 26888.25 60773.26 42819.28 31326.36 22755.61 47234.35 5692.398 46049.07 23125.06 23540.17 41647.57 27341.07 32067.46 60303.62 58892.37 20348.43 36342.39 49625.21 50026.93 7662.357 15537.37 10233.54 46087.84 56182.46 31562.51 22312.17 48444.24 16700.6 39710.21 65545.48 19972.09 26002.7 54624.55 80467.43 26775.55 30011.47 29820.6 79304.81 25370.26 49597.63 76609.03 44097.37 26699.64 60250.88 25861.26 46571.78667 46200.67 26665.33 37109.48 65852.13 74147.19 32791.16 38860.03 25801.42 60774.34 40511.93 94844.76 23776.14 65642.63 83186.78 41471.93 51653.19 14429.99 1777.841 66022.15 46692.93 19515.14 17039.04 18950.08 25686.41 15801.55 66230.36 65896.07 43064.12 61009.43 40131.81 33835.14 6440.401 30929.79 75041.05 29006.74 12192.3 78478.61 22964.41 46799.33 43742.83 32562.08 51223.36 11308.14 59133.8 9325.22 63846.6 30378.63 49973.57 48636.15 52894.9 46682.34 34259.87 40392.87 15446.98 53766.16444 14357.2 61408.91 21485.92 69586.67 11628.4 54980.76 47748.72 36877.71 54206.48 34670.59 39231.92 39513.17 51568.5 28914.46 50434.96 34356.9 45717.23 43833.09 38689.44 41482.84 76718.83 61860.24 23996.22 24192.04 60941.03 34693.93 26592.22 41310.57 44349.4 52378.92 57016.06 42250.15 1560.371 51481.37 45312.64 61293.64 17535.71 30005.38 11972.87 52993.6 18685.51 9513.72 13312.32 18914.85 Nonanedioylcarnitine (C9:0-DC) 19403.04 13007.1 6934.346 19847.77 891.9985 10012.91 20152.4675 23900.4 35895.26 11762.1 20849.59 3500.6 23410.14 7904.115 19370 24264.84 11235.49011 19859.671 18365.95 13435.69 9683.478 15120.66 15769.04 8805.188 1566.087 2661.655 4768.8 7809.388 5884.45 21685.88 12387.65 14860.51 6446.653 9022.857 10697.46 5880.388 9501.802 20430.85429 26891.02 14368.97 19264.11 7541.371 8416.933 4370.33 12529.7 16463.93 9936.558 6550.004 16445.07 28775.79 16867.59933 20577.965 9017.638 26686.01 33069.89 14966.91 18343.56 23393.43 16854.14 21376.37678 23983.6 18641.48 15921.58 11580.16 26858.3 23323.94 15116.17 4605.568 98.91824 17160.8856 18373.98 5694.834 6844.572 20786.74 11653.46 3016.204 15171.23 9079.793 18017.84 12058.32 10887.71 15992.49 3069.579 13233.68 11020.52 7527.855 8552.102 8864.89 11130.88 10375.75 12782.61 13429.77 13631.12 2913.391 18364.61 516.3413 7216.077 10074.58 5393.469 15937.31 6711.699 9292.492 13975.37 16349.55 7693.881 17076.98 7241.555 16465.81 6303.996 13761.69 4213.205 26057.79286 22247.48778 33888.84 27633.24 20429 31783.42 19017.82 24780.85375 13082.9 24056.96 37244.96 28325.64 28868.04 25673.26 23446.06 20600.48563 23788.10444 26171.66 41685.88 21477.96163 19141.81111 14601.64 20492.03 23992.62 20758.47333 19625.06 15513.88889 2416.355 19584.44286 27752.16 14327.72 8335.586 4770.853 4101.719 20504.23 4892.976 1966.897 1783.967 2785.577 Non-enedioylcarnitine (C9:1-DC) 24538.02 21900.37 45711.48 23604.95 30795.06 24943.57 33628.05 45038.29 34074.98 43793.12 15398.89 18001.59 22183.77 28177.82 18148.62 21348.28 16709.95 34304.14 17270.74 23614.11 16114.34 25950.18 26974.03 62768.89 30446.96 23926.72 37392.47 22538.75 46573.81 32980 17814.35 21262.42 41019.87 16858.43 39617.85 8877.414 67883.62 39421.18 22566.51 21693.05 34540.86 54306.52 51498.07 36536.26 47273.97 47707.69 53691.43 37614.91857 22465.1 35696.43 30081.51 45253.18 28295.12 30738.5 17266.24 24376.99 46341.68 31017.1 24815.38 47872.44 24154.23 26863.51 27003.15 16033.69 21869.75 27037.59 17271.21 7064.416 8560.134 29500.07 19935.73 46266.5 15140.72 58948.07 77294.83 19351.05 19633.27 55947.68 73094.76 47472.25 53561.03 19887.99 29859.51 18058.29 74379.45 48772.15 72534.37 56119.95 55822.93 80076.62 53089.02 67208.15 76997.88 27186.95 58851.2 25505.77 49038.14 71889.95 52849.57 75980.94 78523.56 56522.62 48680.2 38823.94333 30036.88 49443.73 51210.85 55769.9 63031.47 41370.46 40011.34 35351.98 35753.04 41218.56 21473.63 25721.34 50107.9 16290.81 36868.48 50671.52 34853.83 39860.16 32506.4 38958.61 34021.28 20717.11 33107.19 29635.21 41058.33 26932.38 37257.08 36190.68 18303.8 23052.69 41681.9 41537.23 23598.22 34028.4 15680.69 61348.15 55265.67 23374.34 42693.67 43037.99 38954.85 27629.2 71665.97 26111.16 4609.201 46203.35 Non-enoylcarnitine (C9:1) 355927.1 402084.9 185065.7 386325.2 75085.72 436859.4 364143.4 434339.5 354186.6 204064.3 311487.8 65800.83 365325.4 99656.08 312961 302724.8 304755.9 458298.1 385607.9 467439.6 315776.2 336768.9 308643 287315.5 70560.31 93778.25 143110.5 398123.8 207691.5 352936.5 399950 400430.6 159567.7 355961.8 215729.1 196232.1 241470.4 367817.2 441428.9 291050.8 363066 211468.4 202860.8 105763.3 289280.7 174030.5 198260.7 143606.9 372757.5 512392.5 312547.5 368194.7 384764 393599.4 293049.3 341822.6 229626.9 393174.7 392014.5 416384.8 343303.6 439282.7 413554 344319.1 364068 405859.5 309985.9 187816.3 52787.07 485124.9 308336.3 142849.1 234663.7 194673.2 263009.9 93407.75 407123.7 243018.6 262191.4 167271.4 195638.2 234703.4 128239.6 300668.3 194493.1 156892.2 204475.6 203951.8 189957.1 173533.2 200198.1 161706.7 248220.7 137137.6 179147.1 70029.8 181349 293642.5 182700.5 179091.1 173446.3 189562.5 268540.9 313782.9 373516.2 190606.5 135683.9 226011.6 108105.9 206219.6 122424.8 389011.2 403120.5 428242.3 335574.3 427429.7 372207.1 318993 395059 126232 459082.2 396402.2 423191 391195.2 357740 332037.3 414751.6 414963.8 444363.7 374626.5 442009.2 379122 328137 309954.6 409950.3 435515.7 376271.4 367961.9 66208.52 439420.9 443828.8 339377.7 251460.6 203145.6 173448 400236 130848.6 101692.3 178867.3 117367.6 Norepinephrine 9384.462 8426.586 8645.793 8621.147 9710.695 3037.365 12753.19 15941.62 14148.07 12251.12 6714.367 7728.398 3355.923 6235.885 7927.389 8247.149 5453.184 12664.21 12236.52 10034.77 5975.966 6856.702 10906.17 11042.63 7912.846 7257.778 11882.58 3344.514 5887.136 7562.169 12167.08 4993.993 9023.042 8270.847 11096.85 7156.192 13705.39 10272.67 9827.737 8253.428 12088.19 4079.007 11149.3 7805.135 13931.34 7303.427 10376.46 9563.438 6378.159 20674.63 10906.09 9628.054 6731.054 9650.96 4455.56 4474.082 14046.11 8235.897 10567.23 21025.69 7206 10414.1 14001.09 4644.17 9163.633 9632.592 8767.829 7833.749 6346.956 4704.181 3708.364 13274.6 7513.695 5401.944 13336.18 7754.076 7787.647 11928.23 11725.87 9818.646 5912.484 7810.338 10506.48 8059.685 11475 6708.503 13009.37 9215.798 6670.059 11591.17 7602.141 8956.176 10205.85 9893.185 9315.976 7855.764 6865.152 14570.13 11658.57 9719.441 8809.626 9764.603 15991.71 13812.64 5736.772376 9160.47 6746.219 11650.44 8706.81 10110.13 6598.953 12333.7 11781.72 14760.82 7447.747 18000.87 12732.33 3098.859 10873.19 7467.264 1651.076 13931.29 4892.021 13373.45 15628.3 11366.24 13304.64 15007.94 17562.56 14123.11 12017.52 13589.96 5530.572 5992.528 17022.82 9335.062 4704.874 9145.74575 9565.414 11180.83 12178.96925 11586.86 12288.6 8976.119 13511.36 8255.385 9600.059 10047.67 4188.322 11837.16 Octadec-enedioylcarnitine (C18:1-DC) 15674.42 6138.822 4202.969 2947.462 90.2777 6936.132 9878.1796 14433.05 11953.84343 10012.66 9300.889 1119.107 4422.519 10135.93 11576.41 8683.674 7125.034 8489.92 7038.053 9074.225 6431.867 5442.172 4752.418 9777.584 379.553 1224.409 6638.108 2661.432 2616.714 8472.343 4028.399 6765.064 17065.75 1476.52 3682.522 969.3465 66.11801 8733.5425 8772.037667 8500.06 5821.495 5968.191 5013.117 3627.971 8382.443 5541.932 1796.882 2366.006 7024.677 8479.753 8930.36 10251.50814 3252.752 11248.94 8139.89725 16249.65 4001.389644 4037.542 5501.523 8204.175 7437.707625 11045.74356 4194.052 4114.452 4235.219 10318.6 8821.2623 2821.736 1884.684 9877.434 4787.32 633.0291 648.3136 6083.336444 6682.282 576.298 7819.468444 2076.291 12759.6 1476.883 66.74652 4927.9967 759.517 4147.148 4304.116 3167.649 5880.57409 2772.335 6448.715 3797.344 9653.18 2425.519 11100.43 1495.834 1268.594 805.1545 4370.638 5039.192 2979.493 6084.149 3005.921 4170.905 13357.75 5886.856 2248.432065 8790.372 3732.449 4501.427833 3243.495449 1240.11 4038.177 17815.82 11515.51 11555.63 14764.04 4242.673 5994.852 7671.341 12639.87 17953.74 5225.804 9941.185 9420.43 7446.907 8934.197833 5350.482 1818.291 17647.42 7469.715 8496.226 19862.73 12080.53671 6426.239 13065.97 11046.43 16400.36 806.6424 10350.46 887.0016 5908.677 9905.261111 14433.43 4693.436 1985.707 691.1276 6261.295 919.3285 1932.705 2681.989 604.5161 Octa-dienoylcarnitine 248418.3 291944.8 57911.71 94530.13 26045.69 277690.7 315593.7 507170.1 383120 109268.1 247123.1 63642.31 253502.1 90020.31 225180.1 355061 296530.5 162313.2 97152.35 316624.7 149725.8 345520.5 141851.2 136905.3 20938.75 95151.56 169160.9 147348.4 43648.87 403914.9 58789.12 320705 580840.8 199665.9 326589.9 48124.9 97695.9 464293.9 244988.4 227953.7 133969.5 173596.3 124393.2 90403.29 130626.5 161946.9 44201.13 69280.15 84778.08 292133.8 294195.7 421564.8 347659.6 289606.9 282086 295123.1 252283.4 217397.9 199713.2 155222.4 186810.9222 316834.2 156314.3 268651.3 268481.3 207422 264338.1 56028.72 62473.51 167989.6 128251 90035.54 130761 280953.9 237868.9 21636.44 208163.9 62634.82 288911.6 24822.1 45216.77 35587.97 97311.39 94081.62 92118.54 238283.2 38890.45 140118.2 142584.3 163906.3 98952.83 119261.3 321310.2 53907.08 107985.4 40870.14 221431.2 163179.9 72835.99 257244 108277.9 205930.7 185299.1 182441 1731.209 82021.04 117560.6 43545.12 62800.66 23343.85 74374.88 384770.4 381557.5 393132.8 299749.4 290209.7 367408.2 228176.3 354539.1 237266.1 134508.6 302283.7 302990.8 453248.8 413054.7 197896.3 139108.8 153591.3 454789 162961.3 187415.3 476631.8 260078 381326.8 490228.3 269938.8 105241.8 298971 29787.25 269798.9 268369.4 276341 103920.3 92330.29 25697.92 188265.2 28167.69 54832.6 90435.91 56019.06 octadienoylglycine 5964.378 6731.814 7673.83 4642.244 4182.277 5640.859 7957.884 17953.59 8430.501 13315.6 4453.903 3497.505 5660.42 5763.21 4231.716 3681.029 5193.857 11413.55 6047.609 9597.337 3742.986 5650.827 5093.72 17435.1 4366.784 4393.477 7914.652 7830.743 10683.29 9076.302 4107.095 8181.586 13316.33 5546.622 17689.48 2153.335 15080.74 7337.11 7929.454 5001.252 9707.587 10992.1 14501.7 5279.788 16832.31 11024.86 7920.831 15131.6 6558.628 10940.39 9211.5874 7794.138 8402.888 7103.512889 5612.846 3734.645 13087.74 7099.29 7174.838 10198.56 6544.821 9603.1477 7206.9759 6366.942 6004.868 7855.655 4412.78 11997.26 2427.05 7055.9635 2892.054 8612.729 2262.249 16544.46 18409.29 3828.888 6381.828 15914.61 8546.488 9320.514 8415.178 4180.573 4791.856 3130.062 10449.44 10068.48 16118.57 13953.38 11456.35 18180.46 11254.29 14782.31 19964.16 4287.887 15229.83 3402.523 9312.118 15568.95 7095.689 15586.59 11165.11 12611.03 10517.18 18101.96 10838.53 12468.88 6312.302 13810.86 10561.2 14758.19 5753.929 8384.605 6493.325 10969.73 5747.096 7575.475 11851.31 4691.075 11262.41 8819.94 12013.66 8640.779 9457.602 14672.53 9554.105 4240.203 10064.16 10516.81 18596.32 8468.941 10565.13 7709.022 5174.436 4765.189 10778 8770.599 5859.322 6859.325 3517.555 11963.32 17252.11 7154.848 14174.77 9655.543 9774.896 8458.694 7743.149 5500.547 1953.853 6211.468 Octanedioylcarnitine (C8:0-DC) 81963.94 65932.17 18397.39 92812.08 2963.839 38043.72 121127.6 126987.4 74780.42 19647.11 39901.72 5913.573 74972.93 13245.5 65333.35 65150.78 70067.05 106565.1 33138.71 52180.26 39440.04 53611.55 43652.29 13335.96 2476.74 5844.868 7581.528 26885.47 21473.88 74665.84 45917.61 18148.28 11874.54 28238.46 14819.02 1015.943 17423.1 149768.1 50045.06 29243.4 67806.09 6298.089 22450.2 7341.136 29973.31 28798.18 14731.53 16383.48 63530.09 77481.48 111939.8 136483.9 20770.84 51355.94 81442.73 68831.79 24925.63 51179.23 65455.42 53736.41 61753.2 78932.18 53223.98 30716.86 60282.57 83902.51 57561.39 18518.06 1232.183 68684.56 74220.01 7218.329 6848.071 32867.29 12230.79 6375.162 65144.5 14645.9 20535.52 18126 17538.6 32684.67 5692.328 23187.27 13437.74 12130.65 10715.62 22180.57 13463.93 17273.77 13066.3 16299.58 21437.62 10108.29 19957.86 2994.102 21672.72 12908.15 5877.728 20710.21 11924.32 19238.13 19389.26 20747.9 14683.83 16458.76 8183.834 26149.1 5021.976 10670.61 4659.721 70302.75 70590.17 130804.2 67904.16 68760.44 110576 69436.08 68058.82 14761.29 102234.6 100073.8 110643.5 81021.7 79162.18 61227.3 68352.63 70174.72 66881.57 71824.67 59691.86 131862.7 34064.58 66489.36 74585.19 69801.82 75932.04 120451.7 5143.344 81913.47 111147.7 63798.05 8397.647 4982.811 6388.722 75087.78 7955.659 4037.607 6030.645 5053.307 Oct-enedioylcarnitine (C8:1-DC) 26698.3 25244.01 17079.11 16130.74 8554.796 31399.52 35475.19 42393.23 43931.46 17681.6 18003.3 6582.321 29395.96 17270.23 28822.62 30191.03 21041.5 36041.59 20387.4 38512.72 13655.77 29961.79 21484.37 23133.48 8850.713 7576.581 12221.11 20788.04 25258.92 26421.52 25479.42 23919.74 16718.71 20857.56 38751.69 10266.9 21468.57 48750.76 25285.72 19403.24 25863.46 19053.55 44863.63 20190.23 20585.76 19936.51 34396.97 28545.67444 33627.24 33970.2 32037.44 46639.01 20418.5 50636.37 30451.19 31542.17 28887.12 33844.53 31241.38 43960.67 26366.58 32167.36 21828.17 17213.03 25949.83 32847.06 21449.33 7712.422 4009.123 39005.7 26879.06 25181.98 9706.27 28914.68 25734.21 8522.074 24720.86 34607.45 24208.96 28283.67 32588.38 20049.17 12408.61 14872.29 21513.78 26294.09 24698.38 39801.9 35758.2 34013 66778.31 32578.34 40648.99 15790.55 68655.42 8634.737 18887.69 24835.44 19308.5 34164.77 20437.02 33142.39 21665.19 38215.03 32208.11 57858.54 15247.55 63532.26 26411.22 53924.07 12791.04 53505.43 42201.57 45212.99 27343.38 30061.97 37476.38 20473.26 38278.01 11722.09 35860.04 36626.67 41313.48 34527.97 30627.58 18721.15 39027.68 41670.72 31457.44 31114.96 48838.69 40687.62 22453.35 34053.16 45331.41 57540.31 31291.32 28560.83 7388.087 50912.32 14362.97 25499.18 16319.76 26675.26 14558.92 31772.94 17244.09 9204.933 4757.228 14394.78 Octenoylcarnitine 322178.6 343265.6 351626.7 373204.1 92729.87 156474.3 258140.3 310569.9 187434.4 519782.3 169167.7 90147.54 356829.8 137408.1 312773.5 238728.5 380978.1 527966.4 179994.1 209125.2 189138.9 272130 197719.1 624973 107614.7 103989.5 209395.8 126861 459682.9 322880.7 389223.1 137047.2 318142.5 203004.1 370857.1 84309.57 424923.9 402577.4 218754.9 241451.4 309645.9 316290.2 427246.5 143513.9 689396.5 369676.3 326330.5 218986.7 336705.1 390936.8 244670.6 227906.8 125313.7 349214.3 274585.6 237928.2 471013.9 331123.9 354081.5 268848.7 356914.8 361920.2 378497.4 143568.8 310422 340067 304401.7 82118.33 22481.72 492958.2 284649.6 258013.5 116751.9 423610.8 564900.4 105884.7 319401.8 502925.6 484294.2 287170 325178.2 137923.1 180752.9 202138 242681.5 252313.8 557869.6 411332.8 413274.6 349372.4 455999.9 283189.5 536692.6 120452.3 517770.5 73163.98 307069.7 493370.2 332772 305982.3 361060.7 384833.1 505683.1 718907.1 310155.3 365747.4 190385.1 532249.6 172160.7 536222.2 171753.9 384753.1 383176.4 358736.4 273199.5 455831.9 265594.3 340300.9 319226.7 279971.9 457838.5 339241.8 366869.4 320836.2 323306.8 273243.6 350734.6 356751.5 185974.6 107637.3 451632.8 384790.7 213496.7 248653.3 286900.6 364885.7 316489.5 241849.1 86520.05 368350.6 303446.7 263453.4 568882.6 243598.4 251045.1 309761.9 221047.9 124647.2 25607.56 187938.3 octenoylglycine 13054.17 30490.19 19067.39 1720.036 1476.968 8757.132 19409.31 21225.01 14721.4 4969.803 21914.98 1907.104 21643.16 2991.399 11367.09 14588.26 10756.85 17703.68 34844.66 27718.56 4626.914 6369.795 20433.83 8022.477 1973.14 5537.334 4195.292 23960.77 17450.78 10942.96 6212.664 24463.61 4849.741 22071.59 7649.303 7358.701 13381.96 20123.83 37214.13 4267.191 13211.6 12535.62 32036.52 2556.706 22470.36 25988.06 5525.776 9385.231 29940.84 17554.96 16024.95 21828.12 6843.914 11515.98 34755.04 32217.62 3132.744 13563.92 12233.62 22465.26 10539.72 43932.47 12836.47 28993.33 36647.19 24594.28 25991.18 4774.385 445.395 31306.87 20628.42 8052.272 6560.775 5493.73 7549.993 6563.183 36600.74 29391.71 20607.19 20866.7 5469.27 10182.16 3296.524 9671.156 16477.99 12328.06 5088.403 31015.9 4740.505 6505.483 18645.24 17837.95 8478.248 3693.871 22777.8 1589.294 22799.58 17260.27 19829.23 20160.67 20799.14 4941.279 15308.38 21840.97 9153.931 37404.7 2422.482 29732.73 10902.27 25590.66 4382.858 21126.33 21849.63 19786.79 23013.47 9319.474 18971.63 19647.33 22465.21 6649.296 18530.12 18588.63 18819.64 15050.1 14705.13 9892.776 21741.51 26950.24 12883.03 15469.84 11994.29 11393.15 9661.909 13506.01 23002.1 23987.12 26511.45 27477.51 1009.754 26552.95 18692.13 15570.56 6715.25 2984.211 3472.601 21067.15 4732.472 2373.641 2806.638 3766.68 Oxoproline 108030.3 98449.67 47318.89 68455.14 33917.07 84566.11 117590.2 147883.4 151130.8 83463.41 63184.26 44610.31 57003.59 40076.8485 60568.28 89648.66 86871.21 113836.4 75965.96 109241.6 94551.62 87040.74 127352.7 80356.11 39998.74 51036.17 126686.6 108339.1 52501.01 86334.86 69621.53 108682.5 77883.19 107784.6 86952.1 71684 140499.8 115187.6 83587.66 67737.95 104385.691 79854.73 72303.98 107861.7 86875.92 81311.8 82940.12 73192.47 104054.3 94368.75 164579.3 130180.2 86257.15 129777.5 60448.2 93056.2 93632.26 92192.7 93815.06 106714.6 103368 81192.03 131931 76512.09 80461.24 97502.65 72120.87 56904.51 38084.48 80151.71 76476.5 61664.54 71756.29 79731.58 94455.5 54070.24 99592.53 59324.66 109308.9 44589.81 79896.22 53581.98 76618.18 91900.96 86779.99 120066.3 68549.1 59723.92 86266.01 57346.62 98974.37 80382.88 85449.04 78349.96 76726.16 27921.81 75011.04 70364.66 55513.62 75461.57 54668.85 72606.84 76424.86 105468.7 2852.11 86099.13 99047.49 74621.53 129254.2 69527.62 97276.44 146200.5 136106.8 149912.8 75746.88 90013.02 140226.9 70420.17 146750.8 75480.38 141523.9 121148.8 109027.6 141782.7 104937.518 61993.13 133447.6 117447.8 131552.3 97014.71 131393.6 146282.2 96663.03 81333.29 130398.6 99955.73 114371.7 89409.36 34152.8 116203.9 146031.2 129185.4 73854.91 65963.27 96083.47 98047.23 47346.53 49333.71 68025.75 62988.56 Paraxanthine 64937.97 20479.49 176861.8 19650.74 19037.63 208443.6 75237.34667 33551.52 15417.9 138.4693 99078.28 50991.75 1646.074 21090.43 8592.136 60771.69 42916.88 53311.63 4607.375 18827.45 566.897 36945.58 53950.59 62550.03 151.3972 44773.88 13601.61 35760.05 53953.28 53183.959 52050.13 46616.434 6356.361 58203.44 54581.401 13894 41092.6528 109248.9 102866.2 39740.129 59542.91 35927.86 1739.191 17701.74 114099 32960.67 33703.865 405.6939 77219.14 66108.633 169796.4 79650.77556 5365.381 16099.03 159330 51940.19 27027.37 52177.999 20538.71 52601.54 58052.397 67955.24778 50133.086 51941.21 55850.683 53081.845 80917.11 11492.24 35850.09 16260.87 10813.29 7809.507 8157.152 42475.9794 80378.46 25370.59 56722.81 9493.31 23503.24 76960.16 51391.86 11778.49 4536.865 90354.45 2976.439 89077.36 49879.99 44693.87 20407.72 127176.3 42994.421 11282.39 127185.4 12934.58 21961.21 3024.387 3990.294 25450.07 20238.89 13439.17 175998.9 126651.8 7012.965 170556 769.8661 104414 20380.52 60382.4 16938.98 14524.6 122921.8 93099.14 20216.52 113441.2 119523.3 123481.6 10397.89 49931.393 159991.4 48713.93 66901.23444 52573.75 31243.11 159618 177268.5 38771.235 86694.97111 73315.15667 101673.8 122347.8 79121.49 49861.78 63200.1 43106.436 90243.10375 60785.43 186331.1 67142.807 64.84274 95244.19 99181.06 109224.8 45529.913 76052.49 110627.5 96173.63 6819.165 81526.72 1110.658 9532.711 p-Cresol 5951.314 10371.23 9109.489 2736.876 4055.758 4429.514 13781.81 6487.769 6438.349 3431.832 8445.081 3995.254 7626.224 3513.82 2462.601 7179.992 2801.689 8132.954 12235.95 10829.51 3809.299 6448.463 7802.438 5102.915 4278.752 3304.501 1953.263 6116.696 10331.67 2352.097 2341.986 6679.022 3156.036 7792.357 5043.255 6926.519 5098.832 7876.077 13591.73 2352.013 4119.411 5544.761 8828.788778 6239.013 10065.17 14753.35 4059.811 5536.784 12299.4 5058.859 11168.24 5884.965 2902.504 4796.502 7428.75335 12221.73 10449.57 7190.727 3188.719 10826.48 4131.291 12604.83 5884.976 11834.82 16725.34 7964.477 9224.654 3148.663 1340.744 8428.894 7135.501 2719.697 3465.385 3718.077 5263.993 4128.237 12542.2 13475.77 10067.33 11991.78 3551.084 5369.298 5074.908 4908.317 9750.598 5677.978 2484.981 12945.22 10884.77 4669.656 7819.05 9811.105 4982.603 6083.854 11899.56 3544.125 11255.61 7388.131 9699.487 11715.87 12494.91 11408.71 7206.079 9793.981 4156.195 8014.2509 2409.387 13022.86 5015.094 10807.03 6780.968 8428.949 9063.504 7417.997 8196.343 6472.014 5273.59 5316.565 8593.671 2903.68 4956.586 5178.814 6761.798 5358.058 8859.408 3176.056 12387.45 13121.95 5101.725 6811.521 6299.819 4414.888 3162.65 3348.458 9715.441 10263.57 8149.245 6494.479 3027.899 7554.417 6939.999 6818.029 12749.52 2123.317 2355.903 7287.27 4526.287 2086.725 1085.453 7410.476 p-Cresol glucuronide 11516.31863 24288 6192.494 14207.01 703.3286 4860.49 21638.42 16080.324 21945.64 11006.03 9122.188 4979.048 12006.58 7349.577 6748.595 15516.24 8108.542 24228.86 2339.756 7415.298 10040.61 20380.3 16908.31 3996.229 1231.341 1821.486 1849.811 2909.603 4853.673 21902.38 4028.102 11705.13 15771.46 17278.46 11659.7 3829.987 2371.61 18734.422 8501.684 15652.46 11915 2250.414 9012.519 2949.055 3673.072 10691.43 4914.877 7041.05 10326.04 10216.65 21583.68 22562.22429 8544.805 17395.52 14038.7824 14404.35 11474.55 17107.17 14753.41 6601.361 18985.52 17613.02 12151.08 10509.81 16363.78 15889.28 8767.135 6530.368 1879.431 6348.534 2864.103 2901.272 8379.266 10771.64 10449.48 1040.525 11103.64 5282.237 3590.839 2705.47 4253.584 6882.18842 3685.76 6715.998 6238.609 6443.977 5670.82 10173.21 6679.788 7377.222 2934.308 5880.724 11199.68 1863.917 10539.3 1056.644 10883.74 6627.431 6883.693 12422.15 6475.895 10586.16 2994.584 4516.288 3669.077466 6682.654 3645.581 3517.738 2018.937 3282.503 4860.577 20933.87429 26783.99 19215.92267 14096.27 12964.81 15921.88056 7066.212 19340.15713 18069.88 26232.61 14830.481 27165.04 15016.44514 18561.1 5809.495 16477.86613 18593.22 17696.42 12841.8 12710.01025 23096.78 8976.69 14197.95 23188.396 13251.46 5009.833 15052.96 2389.53 15778.364 14482.8357 24556.41 3409.015 5252.215 1049.522 22102.22 4006.191 1503.064 1565.333 1534.7 Phenol 7357.809 9565.598 13234.95 8408.929 3926.735 18127.27 24113.3 18451 20640.07 7827.283 10662.9 5423.633 10849.23 11621.93 10831.87 12863.41 8277.402 16650.51 11027.56 16637.71 10102.84 10704.79 8459.861 13798.93 7192.633 5832.603 7885.562 16682.74 12231.25 12913.04 7995.016 12530.38 9857.652 11496.65 17209.53 5710.763 14316.45 21267.04 15138.51 8863.479 20881.29 12458.06 12002.05 9582.549 14567.03 9398.206 8186.755 12976.81 9297.438 15134.36 14811.27 22024.69 9701.111 17617.3 19478.16 9288.001 7628.444 12803.02 10405.14 19765.36 14991.4 15813.88 14599.25 20068.94 10729.07 13043.63 11494.51 3678.613 3788.573 12145.57 7930.526 7141.932 6008.014 15836.39 10659.18 4832.469 13372.02 10101.81 9691.955 6660.397 13065.83 17453.89 8793.577 6798.834 7476.646 8484.643 9866.768 11584.61 8510.574 12484.71 13487.01 13604.65 14818.33 1553.746 9744.289 3008.832 8841.329 8116.512 7076.333 15344.61 5793.996 9262.372 18190.35 13020.55 403.5144 8297.683 7673.899 14456.25 11854.83 6960.541 11465.59 17803.43 20165.33 15754.81 12225.98 12076.71 11975.79 11361.87 28747.99 8546.97 23239.31 17264.43 20349.91 14952.37 16460.05 9538.127 17697.11 26011.61 20562.8 16112.35 13186.25 21602.79 11476.08 13949.91 26487.92 15275.78 13019.22 21580.59 5426.735 19516.61 16338.02 11228.04 7140.929 9447.193 9023.302 16472.2 7480.123 6154.957 7183.621 4553.296 Phenylacetylglutamine 46637.49 65376.28 64071.94 20655.69 3080.831 55008.46 61882.95 78641.56 41548.32 5095.717 58131.35444 4596.195 72742.03 7654.092 42059.48 62785.54 39492.3 53069.78 63010.91125 79875.51111 7203.879 34883.36 123268.2 14006.2 6301.645 16465.84 10647.14 139248.4 107621.2 52115.91 10916.76 65709.857 51803.11 98738.78 32837.72 27050.03 61372.89 39674.93 82694.52286 8817.401 27537.46 52091.64 132585.4 5674.824 137401.7 116245.4 22522.84 22118.19 69540.739 33265.62 91831 41057.48 28530.16 42896.73 69681.66667 77002.67444 28114.23 20055.57 19752.9 47476.73 36302.88 80095.41429 44405.2 71606.42667 82422.791 149169.8 68826.09 4178.983 694.698 95828.8275 56304.31444 23155.42 6041.355 82581.02 18041.14 17192.71 77873.92125 135886.7 98051.07 67739.41 23513.68 15364.7 4137.05 39201.71 78178.26 50415.28 26852.4 86614.47875 13588.19 26127.68 74120.21 84755.06 61207.05 7326.845 112640 5597.568 90982.02 48347.73 86583.23 92283.85 47628.53 28882.73 62966.34 69011.75 21981.32744 85548.494 13535.29 146224.2 29842.17 68548.31125 3973.672 76861.42 58189.09 43133.31 60860.26889 38395.8 45508.69 54293.934 69398.8 19579.14 48938.48 27465.16 34173.69 85409.21 50325.92 82920.64 68137.22 58714.64 27835.26 73400.25 33501.81 59179.76 34862.35 18179.95 136353.3 50429.19 67285.887 36132.4 2449.493 45464.64 73676.64 53070.45 35898.49 9203.403 13057.79 101302 18950.15 5720.86 5827.716 2775.132 Phenylalanine 149366.8 137786.7 84875.189 135581.5 24408.79 108750.7 156548.4 229480.8 141004 93335.638 69777.64 280626.2 70124.75 53654.26333 93808.46 114492.2 106512.3 196189 68140.7 117475.9 151660.4 254850.5 304160.2 108154.4 17597.22 25140 209161.5 93110.87 201100.1 171100.7 120482.4 89981.881 236340.7 82370.56222 225602 48163.17 109821.5 171278.3 94689.65 92177.82 189528 160180.1 271760.5 39998.48 91369.94 102740.8 86891.26 112618.9 115667.1 128667.9 135495.8 200398 77257.57 173233.1 168675.3 99248.58 90095.539 93957.38 159762.5 188972.2 166128 233547.9 109285.54 242240.9 107461.9 147847.4 103871.8 34639.97 125906 138476.4 90966.68 32907.05 61263.93 263454 109004.1 54207.62 129450.1 100107.2 86496.88 73528.47 82099.018 133032.3 243327.4 114199.9 90413.22 89271.23 84912.324 109245.696 92712.184 126814.8 126438.3 168390.7 140727.8 20106.85 118271.258 13706.65 95767.95 77088.46 118368.3 212353 117896.1 229005.3 117921.1 116879.8 59405.02 67681.06 211263 167792.3 72011.16 139845.9 103456.4 194548.1 194651.1 189298.2 135402.3 109848.94 177396.5 114615.3 226983.8 76331.38 209537.5 171804.4 159663.475 196397.5 150054.1 81296.81 211556.1 175942.7 165824.5 108280 162250.8 169179.1 76393.6 131750.6 241151.6 164566 200945.4 134857.9 212809 193166.7 160826.1444 207188.9 78257.91 62710.1 62293.84 126879.867 45059.77 184317.2 28324.46 75380.69 Phenylalanylglycine 17831.46 20089.88 19047.16 23715.6 4261.922 22005.4 38511.12 57626.21 24252.52 18730.3 13435.94 6380.214 25856.25 6340.965 18407.35 16446.78 18887.8 23501.59 23250.23 34775.35 9048.36 17001.68 22486.91 39867.75 7593.252 10548.38 37277.71 41324.74 54437.8 41608.76 11306.46 27692.96 19495.14 8261.502 24253.95 18378.32 25350.28 39123.1 16461.58 10307.26 21304.29 8814.223 15522.34 13463.32 29043.37 11743.42 32647.43 30276.3683 25464.34 32564.9 21686.02 15161.18 18297.87 22821.246 18810.81144 17390.52 21729.74 24686.13 18584.25 32340.56 22375.06 18869.06 25874.62 12471.2 19889.5 13459.62 17258.91 6374.451 2772.591 32092.16 19410.68 5607.971 9048.504 27178.1081 27899.28 7050.164 31795.11 9584.842 20591.6 13815.97 12289.01 7901.895 2269.803 5980.777 19890.64 15943.31 40506.18 22793.14 29328.19 53025.28 25541.08 32043.2698 28237.202 6616.938 24352.43 3405.013 11492.52 26958.91 11134.51 37182.29 9956.891 16873.75 5164.237 39815.34 1589.663 21301.6 6571.255 6893.601 5851.315 19947.53 8675.385 35347.21 30919.14444 32135.55 17444.5 17144.77 13166.29 24751.62 14954.36 31954.46 31476.02 26224.51 35151.23 24868.02 27414.43 7102.511 24287.24 45524.93 23162.63 21634.24 25603.93 23185.19 21293.38 22849.05 23125.86 54104.35 24530.45 28926.36 6748.374 34033.08 24029.9 17807.59 18605.92 5688.673 3897.46 29172.69 30953.02 6914.752 9668.317 3373.815 Phenylalanylmethionine 50360.65 54375.15 7370.577 38120.33 1667.295 107129.3 106722.3143 94561.51 79716.968 4046.268 74698.8 869.5105 84097.03 3910.642 82792.9 57774.66444 38977.69 145161.1 119021.3 83097.33 54761.33 80947.49 98429.36 9239.923 1519.107 1501.319 1486.957 112697.9 26533.52 62803.09 52079.41 67574.69 6611.745 71169.28 11555.95 32622.6 11109.62 122954.9 79040.06889 48036.12 71129.2 9269.119 12563.63 3801.917 8331.128 10919.81 12375.54 8509.184 86812.76 84244.243 104080.5 137848.7 80755.9 86918.15778 54709.95 57080.77 6191.14 81837.94 42297.27 92888.66125 102943.7 93300.28 52229.98 64913.96 85091.86 69048.3 50299.92 28199 12357.18188 24879.85 24391.83 5018.999 20859.91 8900.181 15223.48 1723.723 94348.11 7940.901 17125.65 15796.91 23075.91 77480.13 5782.387 28487.29 11018.17 9750.963 3084.571 11718.27 788.5924 12406.79 7096.172 5210.927 26108.09 6608.234 13372.98 2348.988 22470.97 12135.77 10784.74 15619.41 10372.28 22496.6 13389.74 6699.924 61982.93 9111.707 5163.613 10527.05 7149.081 6738.013 5538.984 58647.19 39875.56 47947.36 119551.9 62431.48 152255.5 58295.69 123148.5 3348.428 83252.88 99145.69222 147814.4 60518.89 80475.52 82733.42 129560.9 146569.1 104986.1 143362.1 95957.62 106882.4 72498.26 140869.7 98254.945 125993 60146.16 77642.02 346.0094 73575.52 128805 53821.34 9840.082 5851.274 8022.951 69137.57 6178.479 1326.025 19990.66 11884.57 Phenylalanylphenylalanine 462769.8 821168.3 438545.5 952412.4 160463.9 326632.3 852257 1434655 811830.08 2368601 1443827 282139.5 1476941 230804.2 249816.9 445789.4 822788.2 204941.4 200061.5 627219.1 828916.3 2174671 481567.8 716612.7 117914.8 176927.1 34867.06 478129.2 1162918 705290.65 211195.7 1344723 322676.9 1685003 2095854 294478.9 1981337 925913.8125 376330.7 780129.3 2672607 923382 2611545 424894 289294 1728476 438929.1 384399.6 504414.3 420766.6 1419329 716562 1135172 545263.8 1121724 2241407 757362 1373716 911284.1 762373.7 747273.8889 696964.7 210362.1 1187020 1639963 468150.5 773807.9 43765.28 180160.3 275263 431181.5 353437.6 437927.7 1329792 367628.3 111928.1 2543578 1274686 1790635 348347.3 2293308 1632184 250445.5 246547.5 684679.8 376164.6 1917760 708863.7 780792.1 555942.5 683820.6 391681.7 698733.2 66840.6 2293727 79302.74 1207773 560106.1 990033.8 803946.51 627574.8 837022.9 1372774 1478498 2186.645 191508.1 1435042 1646340 938196.9 477201.5 553069.6 1148033 966269.2111 389992.1 659711.8 1544834 1087710 552899 1283436 965617.8 648779.5 1265436 1076797 1787405 1234966 789247.9 848829.12 903437.1 1912390 953382.8 783902.5 1450241 708611.6 739821.2 1861835 1569930 1519066 857653.9 177293.2 809458 2214284 2195107 2521377 489783 840986.8 995171.1 301148.4 96376.24 277349.7 377554.4 Phenylalanyltryptophan 5456.264 6853.177 2899.685 2773.007 1092.447 10770.04 10825.31 19213.12 9577.7161 4445.124 5599.914 1465.254 8260.736 4055.211 3332.425 7088.914 7246.55 7777.769 3280.552 8608.208 4830.108 10851.88 3207.842 9669.55 1031.663 1313.349 2867.293 10190.61 6010.524 9600.435 2307.21 10052.42 175.1048 4720.124 11505.65 2915.37 15537.03 14364.72 3791.441 4213.801 13479.55 3925.699 8636.143 2254.104 9749.792 4997.734 4738.187 8204.277 4119.85 6193.522 4559.419 8360.931 8380.696 10102.03 16385.13 9902.968 4814.017 10646.97 3264.85 8598.634 14483.45 5931.333 4990.261 8207.231 10742.97 5096.121 6710.247 1398.139 357.8942 6139.495 5091.843 2034.109 3271.981 15591.88 8232.444 1556.541 10506.11 5435.42 8591.724 1824.516 15972.57 16252.75 1772.883 2312.588 3721.883 5862.527 9191.04 10080.78 10832.35 7419.984 5125.585 8954.102 7470.221 1602.668 10792.59 791.5186 6324.152 6786.816 3293.508 6376.108 5033.476 5324.935 5486.408 8415.614 4452.407943 5013.295 4444.086 17629.17 15102.43 3531.688 3446.655 16664.94 10409.75189 10812.69 8313.212 10247.98 15850.34 8892.255 11713.82 10337.62 10589.72 9404.888 19147.31 10540.51 6621.544 2331.256 9285.793333 11171.94 9934.775 8412.915 4257.683 12509.69 8496.596 10603.37 17167.48 11938.97 4145.012 10999.94 719.8614 17837.71 7636.354 5033.3 3895.856 4020.465 2205.271 14933.47 2863.983 1549.587 1983.451 1649.733 Phenylpyruvic acid 47937.94 59137.14 104575.3 58933.46 24699.71 130515.3 155831.4 119568.2 142170.7 49153.29 66583.8 30866.31 67598.7 79601.74 73522.18 85719.19 193764.4 114845 69049.77 113479.6 73332.92 71348.57 52249.1 102045 35268.44 39146.07 66703.58 118359.2 77501.89 90337.68 62321.48 85460.06 51002.71 69780.09 153750.4 40217.5 116907.6 136056.4 103417.5 55934.02 141936.4 103580.2 97631.05 65726.05 112916.9 66303.37 63534.37 86205.73 63701.38 106368.9 87860.63 146298.7 67796.49 121878.6 130189.1 62225.67 53638.66 83502.39 70298.58 136650.8 97690.77 114054.9 106462.3 143506.7 77197.55 88755.93 74845.98 24824.68 21776.01 76900.57 49426.84 48453.65 46495.85 110299.9 73946.86 32209.32 89263.64 77801.01 73388.99 47960.52 102664.4 114448.9 48136.98 45419.45 61139.84 60787.31 68477.18 75459.48 67473.36 82836.56 93673.16 90989.67 122118.9 31236.99 77714.61 21506.4 61456.57 60969.04 53338.23 104416.2 38730.62 66107.02 143673.7 101509.8 20342.61 60820.28 54480.28 127031.9 72275.67 45608.53 62882.78 115229 133238.2 107146.2 79862.48 85628.49 76137.97 72969.3 199090.8 55955.24 161414 112730.2 141022.7 90597.26 103543.8 61125.97 113337.2 177935 141455.6 106894.3 80996.86 136991.5 73671.86 91892.08 187194.8 95837.3 92225.23 149723.5 31582.93 131516.6 103241 78043.3 50704.43 70126.06 73456.98 113831.8 42376.08 42674.64 52106.36 29932.51 Pipecolic acid 28713.61 96323.76 80622.41 39992.34 92924.55 71677.12 117421.1 70467.88 90583.97 71821.82 44955.9 81819.7 32150.23 37736.96438 35761.02 47712.67 55480.65 104205.1 91618.49 49330.18 107984.3 30076.62 45860.46 40275.16 92043.47 153576.9 75220.08 96093.06 32562.74 33062.72 71236.35 133897.8 68517.76 56603.34 89165.7 30516.5184 67858.51 59210.56 62360.24 39516.98 105992.8 102036.6 42038.43 45190.34 46026.19 126934.2 76800.84 122693.9 50113.01 52475.18 75918.65 58149.85 31365.48 151004.5 36835.01 95825.59 37169.25 28521.35 37016 57764.91 27971.06 59287.61 79566.04 150162.8 28468.34 30228.34 46197.31 106829.7 30792.34344 36343.55 25499.9 50414.66 125353.1 65166.72 47156.74 81370.67 150516 74379.76 65617.74 40400.62 52406.72 79090.84 62985.72 100438 41573.93 89375.69 36991.35 38210.06 79626.95 37601.43 32930.69 20834.64 32968.3 64957.45 62239.2 82223.79 50030.09 52198.84 35197.14 55347.51 113550.2 64786.78 71865.51 28652.79 6703.69 43472.16 117527.2 52407.25 67337.19 25239.27 160480.8 36379.27 52044.32 98512.65 30992.11 60025.42 81592 44683.01 77567.12 65048.67 93898.32 92492.55 53462.93 104491.9 95539.95 30663.79 69055.46 66448.04 40202.05 66913.6 62767.96 56933.16 42134.2 59767.57 69584.87 73162.21 84488.44 88020.13 98869.79 36749.84 35405.87 48793.97 25925.36 132708.8 149151 37568.58 36759.92 134132.3 77725.03 140792.2 Piperidine 1006256 577320.5 1328205 891494.1 218877.7 1677629 1412568 1884115 2466021 666932.4 784894.4 66607.33 724168.3 560999 800661.6 1687113 843870.1 1282641 1261392 2064787 639931.7 999357 685835.4 1854816 266413.7 283579.9 543961.4 1810137 1421173 1090467 713457.9 1191644 925367.4 579178 1822636 303478.2 1424536 2145451 981315.3 718926 1898503 850984.7 1229176 615109.5 1748229 1274020 939286.8 1372009 1035726 1373021 753834.6 1756900 1272058 1686323 2135457 1061699 914214.8 1379320 662678.1 1489561 1432175 1214262 1282669 2034643 1119369 1142966 1169103 284153.9 160470 948441.4 920781 321661 485542 2114233 1541696 215873 1497569 844740.3 1515391 562596.8 1430382 1208995 316487.8 445578.1 660442.2 869533.6 998542.1 1391308 893745.1 1041884 1477602 1424132 1446173 340770.8 1178088 189665.7 1144469 836755.1 561538.7 1633217 527445.3 1040162 1624598 1359021 3226.484 866217.9 579145.9 1436440 528424.2 1023272 593729.3 1326088 2548322 2033707 989151.5 1553541 1485230 1105735 2112557 932233.1 2170878 1137719 1569357 997870.2 1051080 776295.1 1878399 2027862 1467763 1306928 971800.5 1863713 1038890 1286094 2180950 1432122 1207785 1584318 217983.9 1257302 1387395 545070.6 1086117 620977.1 550508.7 1387793 590296.7 415761.6 407658.7 330849.5 Proline 327953.2 463474.2 457907.7 287299.2 545249.8 517494.9 333524.2875 498391.1 595655.1 455391.2 407003.2 226625.9 430658.9 389351.8 409721 608697.2 310094.4 369770.6 769873.8 553525.8 433930.7 256330.1 237115.7 472841.1 506089.8 394286.8 295003.5 639041 487210.9 404308.7 489148 441193.5 368709 378323.8 648771.6 416546 563581.7 514524.8 405222.9 274154.6 787824.2 402053.7 452318.5 833102.7 463907.6 360886 372577.6 608190.9 255424 595303.6 547650.8 620828.5 334822.6 607629.9 424687.7 297295.4 367618.3 359008.7 320288.2 858528.5 313741 452163.8 627445.1 576952.6 330927.6 427876.6 381100.2 211393.6 436388.9 494504.6 221581.5 235003.7 308175.9 369823.6 382248.7 407730.4 713887.9 447169.2 375443.8 299470.1 429407.2 465311.4 249373.5 298718.5 598974.2 825227 541480.8 442373.9 300013.5 586077.2 427249.2 542917.2 634133.7 285608.6 374975.8 348750.3 267119 344083.1 426212.4 580340.9 270745.3 437886.5 469758 441481.7 9138.556 297505.8 386331.6 549497 437097 189865.8 368482.2 599941 510875.2 542973.1 390594.4 438942.6 412243.3 325220.7 710124.6 289238.4 776509 875458.5 665402.7 508274.5 602567.4 511273.8 517646.1 866307.9 591394.9 539627.8 801570.3 625651.1 520116.6 458001.6 470399.9111 392880.6 511612.4 505167.6 625871.5 600847.9 531609.8 356899.4 326527.8 569336.4 472543.9 545886 320183.6 623258.2 454953 303636.2 Prolylglycine 64979.62 154461.6 23676.06 82948.56 12287.88 151842.6 124044.7483 186377.4 61224.56 31886.72 65523.69 10801.78 118889.2 16725.79 40114.8 53506.39 73460.06 75905.25 109334.8 197222.3 63191.65 69980.26 189864.3 48692.12 25549.38 34521.64 33206.15 113320.5 70503.14 85506.23 105195 160725.6 46452.79 119182.6 75142.4 58376.28 74959.49 102179.7 114078.5 37238.18 73086.96 41630.15 40799.39 50818.55 92301.85 29936.23 41548.08 37722.38 66472.36 99184.24 133374.2 58764.72 98790.01 46530.3 138149.2 80393.4 38137.97 69409.28 72970.61 120334.3188 62298.78 110029 138311.9 96799.11 112109.8 169846.8 72615.04 23177.58 12371.81 133791.2 71534.73 36616.77 31300.09 47170.43 32647.85 40749.79 198280.5 37811.54 37922.07 17635.39 46077.94 65772.51 38102.65 52542.71 70365.62 89497.06 14592.26 54090.77 53107.97 71786.12 59639.03 121463.5 76089.19 28319.78 72126.47 9380.964 22612.37 30910.03 28205.77 56308.72 29756.37 44235.47 37099.03 70042.89 49448.86 29942.12 25514.33 64181.77 38848.35 21171.25 32864.08 104026.1 101487.6 112824.2 135608.3 92404.2 126228.2 31141.3 132077.3986 19105.22 149298.5 43365.26 207701.6 152276.3 110154.4 13811.97 201279.8 105228.5 125486.2 178494.9 108684.9744 95845.19 109634 57067.27 136421.7833 186324.6 145375.2 119591.2 6011.626 103627.17 107605.7 73739.36 50974.14 62772.13 36422.95 146172 35983.43 29008.99 56377.65 9316.768 Prolylphenylalanine 47939.03 58293.22 73545.75 44291.76 17022.23 47415.97 67079.15 137122.3 50721.27 49055.82 35379.05 10893.31 39669.13 21381.83 28776.18 25390.96 80090.82 78991.89 49248.46 73198.4 26275.17 51696.68 48431.47 85778.51 18233.59 14398.21 31898.22 72520.31 103968.9 67627.16 34445.42 69965.12 75195.54 34650.83 141377.6 10126.49 89947.22 71873.86 62843.57 35798.35 66857.25 63651.81 106903 30680.94 79313.81 83560.04 54764.05 148387.5 54245.07 63303.06 47652.74 61913.52 62782.62 33649.69 84832.79 45016.97 67901.51 59405.38 47994.5 111726.3 35224.44 61284.37 49025.22 56897.23 56268.46 55678.8 28449.25 6827.83 3646.998 58949.62 51460.4 44068.21 15557.16 113077.7 88464.72 9769.655 50065.67 98877.63 87940.91 52589.13 54723.22 55076.35 22271.48 29625.39 97161.81 46266.06 65083.58 108530.8 78450.77 142043.4 79295.33 147212.5 114628.7 12413.13 105272 12582.44 69160.13 84787.05 60255.78 134455 79398.88 75821.95 65073.67 90734.91 31574.59 90644.16 41996.07 104937.3 75161.66 77922.86 36055.56 96781.67 79704 108642.1 45793.32 50467.08 61047.57 43352.6 96194.75 43548.28 86220.33 70415.69 70962.63 98686.31 76520.74 27659.45 91705.77 89740.88 113281.1 62563.13 89319.13 60868.37 31548.11 26808.91 86826.3 81471.58 51915.45 65953.2 9380.209 130459.3 99694.6 45042.54 88430.27 31282.56 23908.64 79364.48 82236.38 13287.17 6712.878 27638.02 Prolylproline 25493.37 29973.39 20477.82 23790.3 10248.88 32937.74 32748.073 70633.92 20168.4 7385.497 14184.19 9321.975 29888.4 16710.8 21606.99 28279.15 23357.97 23163.92 24059.758 41565.52 37189.87 18030.886 57915.54 40664.84 21205.81 40009.05 29022.36 66031.71 53001.1 23246.843 42011.77 22338.21 28882.48 30302.86 25815.75 56858.89 30360.86 18096.2 22378.69 16769.23 31167.13 38902.68 21058.36 5081.885 72864.57 7343.124 14655.51 71598.1 22079.45 24568.3182 42393.99 30432.82 26860.26 24727.30222 39543.01 27446.92 13663.38 33082.03 19656.46 54739.05 15615.45 27386.26 61458.84 7947.616 14164.21 20273.7 26091.23 35212.65 4060.827 42346.29 18980.31 7788.813 23504.93 34455.47 13975.31 23257.95 31171.64 6624.464 25029.6 16083.43 7627.824 16471.48 9777.711 25261.06 59878.4 30513.64 2436.562 18932.56 9023.446 49511.82 21396.29 31249.53533 28382.85667 20043.61 4953.732 5720.52 3871.381 44990.74 8255.62 28958.616 22070.55 7385.41 26776.49 64202.44 3234.699 11202.39 7233.785 6763.924 10033.21 32482.56 12686.01 36671.61 51107.58 61319.93 17013.14 12770.32 30821.45 20573.66 35144.74 41999.38 29373.72 25447.05 12729.77 28449.01 65834.37 26458.89 21472.52 38327.16 23166.28 44834.81 38384.21 25079.73 15699.39 17554.4 20011.43 31962.41222 9424.254 43729.03 25476.98 26667.21 30741.91 22419.33 6576.179 13390.73 19737.33 39598.59 10590.34 24275.32 31925.05 7323.065 Prolyl-Tyrosine 12315.57 11407.42 6159.304 703.3682 808.3756 5525.287 28085.72 13905.05 8399.651 15888.11 11244.14 1915.269 7377.334 6742.671 27157.89 25673.9 11046.21 18158.94 4889.53 20617.51 18246.86 3580.647 5176.411 7003.563 1511.021 2004.02 3939.4 20344.07 9563.333 26072.98 28566.71 18251.44 15158.89 4735.658 11487.14 10328.07 1012.705 11989.08 17384.65 3562.802 11842.12 2907.563 10858.48 4987.411 21725.18 14691.08 6180.522 14931.29 9250.645 17167.22 4907.497 21087.03 9648.822 6664.994 15791.89 995.9454 14221.45 11235.51 6669.228 9337.965 17158.02 10178.42 7029.071 25957.88 8472.05 23602.32 6490.473 9638.035 874.5772 9282.15 7296.966 9048.87 11945.89 31092.3 17561.95 2506.495 15134.28 16754.68 18587.22 2976.594 12119.1 7595.858 4598.187 3642.701 810.49 2475.037 10975.08 17764.87 15136.14 19735.27 14349.57 17129.89 20192.33 2522.414 26307.61 1927.523 4858.446 10037.36 7142.429 25131.72 8399.9 14477.1 3986.474 25752.16 28961.67 18426.84 6444.165 8548.83 10572.2 12536.29 6560.971 19818.07 10728.07 28205.88 13956.53 13087.22 15053.70889 11900.42 16135.82 14301.69 16234.07 19890.8 20894.65 16244.17 19147.76 6675.236 13695.41 21364.38 20418.23 6455.996 8088.731 10300.21 6939.217 3592.24 25720.56 10206.74 15661.55 7417.804 880.1103 6851.878 19632.54 12110.39 22351.04 7365.491 3640.234 12245.24 7394.316 1957.075 2715.917 3654.062 Propenoylcarnitine 210655.6 291611 371911.1 204447.7 72422.53 70434.93 306695.8 401946.6 148539.5 255109.2 157111.9 79402.8 263828.7 122008.4 138584.1 165968.7 144305.2 329252.4 222351.3 218962.6 113765 165084.3 237738.1 407272.3 92027.61 91855.8 126412.2 149555.9 326362.2 228024.6 139099.6 178620 267294.9 243812.6 429629.9 75399.09 312676.5 354841.6 323064.6 128806.8 194911.4 285013.6 444369.5 140603.4 340582.8 407756.4 285594.7 487925 276812.5 286448.8 271951.7 370044.7 72213.65 231651.1 329489.7 279671.8 247743 242151.7 207270.3 387945.6 170861.9 399713.9 167207.4 197587.4 322652.6 324343.9 269780.5 48123.12 46429.21 380565 249756 213780.2 78816.68 435533.9 458919.6 97303.01 319851.9 518687.7 441296.9 322509.2 269415.1 172253 130052.8 147104.4 333228.2 236690.7 299132.3 453285.8 345137.4 383678.3 438006.1 458540.5 433727.9 119817.7 409844.6 69736.02 367818.2 373679.4 324846.3 435866.9 355473.6 321551 307405.8 463242.8 131522.9 528671.9 197395.8 553554.5 228052.6 365365.1 141805.9 436019.6 417381.1 416873.8 272109.3 215832.4 331600 218258.6 457091.4 179258 320073.5 275616.2 294927.5 235655.6 208967.6 136076 401240 463142.4 161197.9 166571.4 399517.5 287589.8 93638.01 151253.2 421488.2 378076.2 294934 235874.4 48833.04 554457.9 333603 204959.4 424305.2 252880.9 159016.9 280804.9 297991 98614.57 20567.57 162675 Pyridoxamine 3444.093 13486.11 2615.978 4933.796 80.07539 5089.6384 11830.17 13742.79 8576.6926 12902.83 9302.987 1728.348 5496.741 4443.088 5575.526 4737.641 5211.136 7114.457 10013.93 7874.864 6026.686 2979.365 3788.417 2953.903 210.6778 1482.202 1579.072 5506.952 2831.617 3725.676 3257.337 6327.021 3227.514 3949.936 3145.992 1126.366 2244.568 5750.489 9872.581 1643.561 4151.774 3985.752 2602.27 1341.274 7255.045 3606.553 1762.234 4740.028222 5999.146 9452.522 3323.931 9743.871 2397.498 9147.254 8039.956 6393.992 3198.515 1854.279 3205.841 6342.508 3656.609 11889.05 8133.314 7477.713 2827.809 4377.792 13368.86 1550.714 2458.275 6087.707 6979.955 1064.872 1225.753 1850.083 4475.583 1428.764 6138.1236 8833.226 5060.944 1585.126 1681.641 5180.118 831.0582 2938.525 4206.486 3643.123 6159.78 3238.646 3618.457 4599.467 1866.764 2279.292 2678.959 296.1007 2610.07 1456.920391 4854.42 2467.999 1222.803 3095.358 1731.535 3627.931 10229.76 3380.864 72.20606 4418.778 2203.718 2645.063 1737.591 2139.22 502.4472 4973.559 7640.098 6086.17 7432.54 8679.538 7845.129 8197.786 10344.03 5503.848 8559.658333 6508.3813 6905.823 7329.705 5799.927 3481.564 8375.744 8518.573 7232.378 5259.423 6084.263667 9069.308 7912.012 8722.343 12548.07 5108.297 8356.961 10150.25 1128.829 6281.736 4714.928 6204.929 1528.686 3455.479 2722.049 4526.558 869.0308 2345.383 909.8508 515.7835 Ribose 10307.02 9766.993 12490.89 11184.58 4996.98 15886.93 19938.98 12934.6 14820.81 10360.33 8849.573 1771.272 10096.99 10862.4 12465.91 12260.58 8148.68 20404.88 11678.98 16086.19 8996.472 11246.36 7684.164 14398.51 5125.529 6822.383 8804.109 20139.85 14441.44 10407.49 7256.615 15054.79 10187.28 8945.723 18429.03 5462.279 14968.61 20300.99 12501.67 9209.187 16567.06 12489.76 12116.26 8902.01 14227.4 9386.38 13018.78 10480.37 12554.97 10329.68 12336.81 19139.49 10968.85 14746.51 17331.45 10443.85 9306.44 15046.16 11407.02 15267.92 11721.91 12148.68 14711.25 18252.36 10330.47 11317.13 12874.13 4373.017 4002.445 11625.92 10044.29 5053.286 6560.416 17369.22 12697.23 4282.906 12599.76 9008.744 13057.79 7010.21 14478.87 10950.05 5137.162 6759.587 9000.768 11911.29 9568.079 10120.95 11375.73 10553.34 11859.01 12970.19 16559.39 5298.216 10777.37 2887.1 7344.261 10032.26 6117.337 13859.09 5912.699 11063.73 21005.09 15060.26 67.12779 10228.96 7045.116 16458.22 7045.671 7371.165 8851.029 20986.63 17170.87 16132.01 10050.97 14694.28 12961.17 12403.02 20922.75 8832.983 19296.85 14044.57 16096.48 11716.64 13110.21 8216.076 17456.75 17680.92 15525.84 13054.63 14903.84 18480.04 12745.21 12331.58 20078.13 12068.91 11585.53 16454.41 5504.559 18093.38 15230.5 11658.41 8460.594 8927.081 8239.036 16261.58 4758.791 7295.296 8221.369 5024.773 Salicylic acid 17962.07 26523.56 13163.1 17590.66 724.0842 14101.58 24433.86 19542.312 16019.81 6868.676 17556.92 878.6242 24571.15 3572.622 15837.93 12966.74 15931.53 26903.61 29394.82 28777.91 12002.8 15950.64 22385.09 9982.389 2131.498 4330.868 3739.098 33322.61 19185.14 23280.32 27145.95 30461.78 6158.575 22957.56 12017.89 10689.76 14870.48 21730.09 24763.47 14292.83 20025.23 11038.46 19650.15 4778.24 21671.98 15081.42 5995.713 8672.113 30046.34 24736.62 13601 20568.16 12744.86 22460.17 25733.956 26153.16 6512.879 20498.08 20716.58 49860.03 19407.35 32139.1 26365.25 28741.12 30507.62 18010.8313 48477.75 5813.575 233.8267 49453.58 24494.14 5464.909 8002.869 7677.431 10462.06 3719.925 37839.18 25530.07 17852.17 10554.56 6912.831 13001.83 2853.283 12063.92 6249.531 9795.812 7357.496 16606.53 5792.883 7148.275 12219.14 6257.638 12196.77 1760.221 14701.82 774.6189 13739.44 11238.08 8995.178 13234.79 10843.76 7483.588 13355.19 17346.07 13448.01 20389.27 4089.003 15261.87 7737.041 14945.02 2793.593 43732.63 39415.99 22844.96 28060.83 20695.02 21661.85 26277.57 30852.87 6320.588 23279.34 22802.7 21982.68 17777.76 18505.75 17085.15 25504.91 32912.64 22144.74 19243.64 47888.62 18411.24 14688.26 18980.58 34452.16 43141.28 31087.06 20066.05 1393.149 32152.79 28382.98 20717.01 6171.603 3830.548 4354.293 28314.47 5146.793 2955.583 3950.211 2458.023 Serotonin 1051970 6109075 3773433 1050547 168366 1487793 8896513 4642404 2402646 293191.8 6975167 100499.7 5660504 200561.6 1133192 1478261 1505641 1025257 8618313 7200903 712165.3 1068205 4775493 1066823 208487.1 1269174 481600.6 5024067 3344140 1036644 1057842 5299049 610552.2 4891131 1048248 1809515 2275333 6680642 2442945.256 702683.6 1104399 2398780 4786735 463876.6 3429437 4699539 935933.3 848000.5 6119953 1107743 6909107 2458209 1058988 2236788 7332683 6982850 490505.4 1066585 1056246 3178705.111 1222839 2478668.833 1651039 7709528 7547069 4516054 7918157 403863.3 102401.3 7101793 6655075 1639522 488954.9 738010.1 1020744 1605265 2114285.567 4802501 3670628 4189073 845948.4 696011.9 190083.4 2063505 3002948 2640478 242067.8 4777771 640480.6 696805.3 3383074 2470015 1117239 423564.2 3618356 186720.5 4275884 2890314 3860481 3092765 3311246 729959.6 2644960 3389256 10300.76 6557540 458877.4 4762726 1785047 4246237 561803.1 7676153 7547060 1512092 7159649 1637768 1354651 5614432 8465742 344800 1202379 1684088 3230926 1168976 1195869 1423550 6952236 3491906.667 1026558 7256973 6093993 2623078 1316939 2020714 3429475 8078629 5549898 7156792 68235.73 8653376 1245724 3115401 766125.2 408659.7 603164.8 4074108 637906.2 331221.2 489668.2 444580 Serylalanine 4786.62 12756.25 8470.855 6497.782 2982.641 6220.647 6314.441 6973.681 12994.86 6441.385 8346.588 2336.247 6626.953 4506.504 7177.938 5889.895 4024.309 12001.87 1383.991 2047.762 1320.958 1803.185 4896.399 11520.65 3834.925 4981.622 5804.965 6629.389 9287.564 4899.68 5456.275 5484.287 6544.939 8197.904 13708.61 3540.566 8699.591 15509.95 15249.77 3073.675 10100.28 10506.91 12172.14 5147.753 7729.464889 10374.26 7019.104 10334.74 9727.644 11125.55 6105.364 4936.596 929.3332 9459.326 14066.57 1749.914 9394.073 5817.712 4084.28 10861.61 4558.674 15467.49 6747.065 8660.874 1904.73 4629.022 1375.071 2247.945 1436.679 9518.83 6336.306 4699.07 2748.888 7304.516 10003.2 4345.578 7579.139 9739.102 11407.8 8305.431 6722.565 5284.991 3598.204 1039.646 13896.73 8487.877 7545.746 10856.96 7157.973 8442.879 6199.94 5615.681 9777.983 5098.998 13593.68 2199.645 8711.403 9095.38 8442.876 8946.3182 9386.393 9035.401 11926.19 2812.231 8846.691 17151.08 5342.228 7811.51 5566.29 10838.92 4012.455 9081.148 6761.524 5882.374 9481.313 7756.989 7084.88 1537.901 10469.77 7267.048 3026.587 8085.219 9308.949 6642.452 2794.742 6274.007 12963.48 13135.04 5687.707 5795.112 14529.26 7850.751 1826.645 8696.068 9246.113 1299.208 7196.294 9557.682 2570.095 8528.601 8171.588 3980.437 6460.075 5967.379 6546 5231.169 7672.014 5144.874 2649.696 4076.597 Serylcysteine 17866.75 19692.56 21772.91 21128.31 12732.08 28359.25 24881.23 32575.53 30823.08 23443.58 18018.42 12610.26 19137.91 12933.48 15921.3 13928.1 17194.89 34722.95 36761.64 31513.28 14083.42 14016.9 18210.88 23686.21 14110.89 12673.74 23512.66 19620.56 16873.78 19263.68 29492.69 17524.78 23800.11 18857.77 30525.51 15018.52 25639.45 21600.97 29041.53 17813.47 25693.75 22927.83 23119.9 14678.89 23211.17 18632.76 16321.87 29467.09 17989.99 35805.83 19436.25 19066.37 22207.79 18542.86 3864.693 14943.88 25975.61 18024.47 29017.43 33415.78 11669.27 21070.24 29911.81 18922.09 16233.42 16818.85 11723.59 10060.85 8802.6 23223.51 7138.496 22282.3 14106.23 13390.04 26601.89 10295.98 22634.04 27360.27 29822.22 18781.64 17924.26 21262.94 19920.79 17501.58 26250.8 17294 21374.36 22118.5 15328.63 24192.97 20901.76 28077.19 26973.14 16706.55 20564.49 12609.94 18602.95 27760.57 21395.6 20156.8 18573.68 22314.33 20459.54 36149.77 10163.22722 19350.33 14414.08 27142.58 18776.5 28984.24 20240.58 21500.68 18892.3 29472.1 13688.62 32116.79 23816.35 16104.05 21324.84 21809.47 30208.51 26517.63 38525.65 42752.87 35038.07 16736.07 22841.2 25452.74 35467.64 28202.19 25688.47 18402.2 18924.63 9351.973 23130.05 25325.45 21558.6 42821.47 11408.73 25597.35 33297.51 17703.27 25603.13 19739.51 25056.41 19219.79 23246.35 15244.93 12785.92 18865.82 Serylglycine 10038.18 27843.18 24051.37 9342.546 2865.69 11581.13 10087.74 8792.298 7747.754 11786.53 24791.27 5211.754 21736.14 7124.019 8022.874 9751.215 6177.031 6911.443 31384.09 27777.03 7698.015 8588.619 26930.37 17150.86 2516.549 12863.22 7914.717 24664.12 15868.6 9681.382 9890.18 24023.46 7411.204 22432.45 14415.06 18465.39 22569.03 10454 35389.11 7847.11 5516.175 21732.5 27650.4 6429.273 33453.34 27899.18 9493.927 10000.8 28592.2 8155.641 9997.706 7327.155 9279.383 11350.58 34659.27 33489.37 9067.183 10115.03 10112.08 13244.37 7181.953 37046.02 9827.655 24049.7 35013.54 21256.49 25288.73 4959.438 1526.407 31953.69 23921.1 14471.79 6201.725 8373.308 15283.85 15276.18 32738.3 30887.08 32090.53 26966.57 9348.726 7315.383 2483.934 16358.19 27111.24 21464.33 10192.29 25959.36 8042.226 9723.642 19547.26 18626.7 16950.19 6452.559 20943.73 3031.656 24475.92 24452.88 21764.81 21192.24 20525.56 9214.503 22279.37 34225.81 4754.462679 37480.19 6842.363 26284.01 13462.93 31549.63 6005.504 9023.267 11169.28 4852.398 23985.64 11551.3 7037.025 18869.35 10931.62 12051.01 6860.631 5711.737 8752.771 6386.487 5968.357 9367.751 8616.387 12530.94 6857.478 9341.976 9664.094 6918.745 9835.002 11262.38 10429.17 13360.92 25361.85 8955.156 3357.419 10807.66 6902.702 18804.72 10824.33 6293.056 10688.82 21604.07 8892.19 7425.065 5191.369 5030.021 Styrene 4861.181 5870.642 4020.756 4848.163 726.2887 8089.316 8385.904 9016.282 13655.26 5124.692 5863.538 668.7824 8132.762 2267.466 4268.485 6292.798 4649.834 8336.862 4696.886 8068.161 5032.458 6091.222 3478.855 7280.225 341.7193 1428.061 2100.191 7550.502 6213.187 9528.542 2717.958 6483.624 5579.126 8410.581 5585.393 1644.12 8033.617 10349.61 6259.951 3946.456 12500.6 4498.272 7321.769 3103.556 7258.05 5782.583 4794.882 5699.243 5564.01 2709.252 3137.527 9113.903 5715.279 8135.526 11070.89 6366.136 2073.127 7227.657 6105.497 7554.304 10783.52 6966.67 5094.574 9013.839 6911.581 2727.931 6258.287 604.5759 139.6079 5551.201 4726.805 1318.298 2329.97 4332.764 5927.045 1365.225 8065.065 6253.507 6602.549 2403.248 7755.501 6865.646 1380.575 2134.918 4864.517 4414.614 6243.722 5299.361 5957.875 6053.013 6906.272 7925.888 7932.152 1314.855 9707.768 276.4752 6016.787 4111.819 2992.397 8606.191 2807.693 3081.678 7764.082 7202.369 4217.389015 4156.484 3587.914 9196.444 3720.929 3906.613 1419.6 9153.273 12238.38 7832.986 6913.582 8017.041 7701.976 3230.141 11555.69 3938.858 11502.03 8057.201 9495.689 8221.757 6777.206 4318.918 12709.23 9654.171 9923.15 6427.044 8079.571 9978.21 6039.472 6380.325 10939.02 7763.257 10886.17 9917.491 199.2733 9958.062 10066.43 6827.242 5390.973 3211.967 3003.854 7925.015 2009.676 1323.661 1708.264 1354.716 Succinylcarnitine (C4:0-DC) 26414.17 29879.12 51835.42 25651.1 16912.75 96674.71 100854 95532.96 104597 60216.68 35024.65 28638.76 85501.48 38230.39 47592.13 59711.38 38275.6 71829.77 57994.47 77519 27776.75 30959.06 18491.85 28373.75 16263.08 12593.43 16811.37 107268 44291.39 35097.87 35078.27 81035.91 13147.46 28162.17 28943.52 13062.26 29347.33 59174.8625 109786.4 17109.74 97413.25 19430.49 30712.65 23459.92 34099.42 27796.77 31912.78 28347.75 30146.35 59137.91 29329.4 71665.67 41461.69 67436.73 66438.49 44145.01 46641.32 57311.18 25275.35 83708.1 48220.01 63322.28333 77281.07 49330.96125 64458.85 73056.91 102535.2 12755.04 16953.85 71966.39889 6094.109 17639.2 16323.58 34474.73 18846.99 11796.02 110735.1 65007.2 22001.95 17760.7 41757.86 30234.43 23442.05 15672.79 17059.29 19238.17 63356.17 39269.73 20441.88 22919.12 34397.95 23564.79 38788.53 10288.14 37726.22 5671.815 37771.56 14596.86 18962.41 36531.88 20585.85 28226.97 42739.47 26019.01 1349.743 24501.6 21299.18 32587.69 16774.62 40183.41 18828.44 56412 89408.4 62363.99 84170.69 65605.33 52772.06 96422.72 70127.39 42598.14 61106.598 97168.01 69076.46 26018.55 66507.12 34921.35 70191.53 70144.09 42699.35 61174.21 45615.37 60589.46 47360.81 74394.29 74472.86 65495.04625 33564.04 48496.25 29095.38 82451.75 62467.92 21359.53 30664.88 43068.59 18132.25 39632.88 17423.13 28848.43 19113.79 20757.74 Tetradeca-dienedioylcarnitine (C14:2-DC) 28032.27 58791.18 6033.635 33047.56 2626.84 58202.13 68956.48 88653.93 33085.68 28596 47986.73 4824.925 73392.25 7655.123 55376.33 26235.1 46008.63 53607.8 21360.65 45999.53 20012.94 49387.15 14697.94 27569.47 2512.482 3682.276 4837.783 33974.56 9232.877 51978.21 41760.65 28192.44 43041.8 16905.38 24791.27 2723.745 8864.835 54029.87143 38219.23 16607.93 33450.11 10588.04 22980.48 6674.004 44144.75 19643.7 1089.789 5351.104 27248.12 74436.83 37911.57 37235.37 27684.75 33908.55556 24643.87 56297.37 16071.58 58909.91 33305.56 49431.08 83992.23 68751.51 22968.41 36411.88 46803.86 55931.94 58741.39 8739.028 3076.076 80611.36 19108.85 7747.843 3673.17 27756.87 11722.78 3201.669 44282.64 17396.67 18792.06 436.8149 9010.505 971.9442 7963.762 18281.93 3668.568 9450.137 5694.218 16653.85 11733.07 7245.284 22502.69 7048.324 18484.11 4718.439 16223.25 3800.042 22979.93 21817.13 18937.27 23565.51 12823.97 21788.84 12638.71 39858.08 30239.92 20670.6 7227.653 7935.873 4861.397 24182.04 7281.436 48846.82 46713.47 42028.56 44283.45 43786.99 42733.37 28655.56 74245.76 39040.24 67393.03 67310.16 63357.04 56002.34 62738.79 45966.85 41647.99 94064.27 61160.82 25998.74 55651.91 56562.3 41337.09 43460.39 79224.11 53480.39333 35355.11 60951.09 3559.098 98958.49 89453.67 31214.48 17759.38 5000.884 6012.507 22767.27 3700.75 4777.235 5683.37 5475.611 Tetradecadienoylcarnitine (C14:2) 42278.68 108604.7 34385.82 32950.95 21804.6 101149.1 91338.92 71786.49 121638 79952.99 51620.96 25547.5 27349.42 64037.67 40112.07 61989.16 25565.9 61516.06 99058.2 58435.05 54976.56 91856.58 31566.86 61942.72 19220.76 8561.194 23698.12 77727.63 141797.3 50315.73 36029.37 74551.87 54394.61 129415 75307.66 13370.41 57030.58 38370.26 119500.7 35454.13 58483.5 39099.67 113890.1 35346.59 84552.82 64358.33 103412.1 84162.21 98528.67 128300.9 22734.55 58088.9 78208.24 80256.61889 94685.41 56108.35 142082.8 66496.03 44335.23 64932.92 118054.7 88800.38 86415.87 61180.14 96271.07 57646.49 37048.72 26984.19 13473.93 36244.93 32908.82 20508.36 13045.3 135800.1 142865.9 20834.73 70212.87 33845.97 136147.5 67699.38 112980 54636.84 76267.79 13998.52 69119.84 55964.18 49063.42 139040.4 85437.37 49145.39 56659.79 40294.62 123961.3 50634.16 159606 16662.78 88952.96 68520.68 38907.33 42521.14 92645.29 84216.83111 124523.1 43544.06 2693.197 45359.37 46104.97 67744.85 22418.7 23339.74 38424.01 61676.09 37792.63 51552.54 60427.36 50203.26 145706.7 30639.07 103900.7 59961.67 73492.45 68082.56 122320.8 84538.1 48642.98 34158.4 90661.87 76385.43 72115.28 64247.59 80034.04 51688.47 97943.87 123679.5 86276.71 59652.64 28512.75 35569.36 13276.3 61502.56 137982.1 70843.18 97334.09 61648.02 66276.28 53867.19 18345.16 17310.56 20346.13 39995.11 Tetradeca-trienedioylcarnitine (C14:3-DC) 90483.68 73665.6 6364.528 57576.78 9690.931 98329.65 152337.7 119872 129354.9 13039.32 50890.57 4466.038 61327.67 9340.555 47354.39 81556.05 61010.25 106376.4 80877.99 81839.55 66966.48 51038.17 44814.5 63213.7 15664.57011 52770.76 63217.88 57972.6 449.1908 52712.02 45928.09 60002.16 31149.84278 70465.55 67483.66 49346.62 54660.53 126713.6 96696.63 87935.95 130494.6 62225.99 32584.6 6067.714 89631.36 15931.63 25993.01 13700.08 66850.2 71975.52 112323.8 103401.3 65604.6 93260.61 75748.48 62896.28 63924.52 55535.41 58696.49 98384.91 69019.37 68901.06 97488.68 43812.37 53749.91 70915.36 58266.85 62791.29 53600.53 69494.16 45789.12 9127.967 56079.53 1105.194 77886.94 40703.53 75360.4 19354.52 68027.02 15133.03 25465.12 50605.314 18250.9832 46903.63 56646.86 57564.52 4219.682 34899.095 19792.57 1241.071 14524.88 2114.192 61508 53910.32 48260.91 19294.18 22337.06 65039.28 8358.4 6193.977 45881.08 18595.8 58432.67 74847.53 30602.86578 20756.22 21963.59 28743.06 3473.055 24146.24 19204.4876 142692 125746.7 114527.8 56516.4 92319.82 99129 60745.27 92498.65 25591.46 127306.8 121245.3 141358.3 139903.9 142654.5 44946.77 179476.6 122692.6 104673.6 98311.62 124533.2 129514.4 47626.36 71531.68 115784.4 104695.3 59152.22 108361.8 15888.28949 88624.96 93830.98 64308.86 19167.61 47582.28 46659.35 55963.45 26791.0928 53495.64 54222.27 12492.16 Tetradeca-trienoylcarnitine (C14:3) 19733.29 10030.69 6661.148 6094.485 1225.204 15706.49 10859.98 17253.31571 28638.17 2277.466 6316.89 295.362 9934.478 2582.43 6927.344 8965.306 18028.62 21219.98 9133.171 20920.16 6198.76 16260.24 8070.706 7850.15 486.3976 1274.865 3072.492 9601.916 8264.717 14036.01 3298.755 15739.9 9006.758 8863.974 9189.97 990.095 3037.964 17606.79 13371.2 8448.477 9736.108 5235.095 10265.72 2206.794 11585.96 9158.818 2604.028 8518.297 14261.98 14521.47 8617.224 20380.63 8430.108 17783.49 17820.03 10979.73 10249.41 9885.547 6986.577 13001.75 20880.59 10057.92 9701.906 6761.749 9227.944 12644.17 10510.26 1226.823 1531.79382 27470.73 12639 1668.765 2397.927 12046.73 21431.49 733.942 12322.81 7003.986 10787.71 4830.324 7100.079 5030.866 5559.66 4060.835 6556.771 1734.678 8624.086 10249.08 13788.32 5998.974 8127.181 13029.42 12731.57 2007.384 5714.712 440.2823 9746.473 5294.086 2483.059 13549.8 4558.626 11869.34 22255.39 8749.04 118.5058 8472.43 7706.783 7187.49 3105.413 7187.005 2580.206 28250.68 18742.91 17508.26 24034.27 10454.72 15424.67 9967.602 19758.16 11365.83 13569.74 8952.694 15334.42 28746.26 11573.78 5772.171 20730.53 22801.95 7765.399 15611.05 9030.633 18535.44 11190.69 11087.02 20014.15 16175.57 7291.833 11749.96 2564.2745 15877.74 12815.44 14925.96 9598.399 3024.242 1733.647 13037.48 1505.027 121.7236 658.077 1323.486 Tetradec-enedioylcarnitine (C14:1-DC) 21476.42 16682.84 15413.97 7606.249 1204.805 36341.1 52794.14 53422.14 40087.55 40209.01 21757.19 8465.17 19857.55 28254.09 26876.42 24856.44 22565.03 18789.5 12649.99 26933.44 12201.39 15498.19 11286.6 16898.61 1162.12 5489.789 9564.287 8832.969 8450.591 33776.37 8272.292 14379.95 8921.423 3604.905 6295.989 2953.777 707.3379 35731.486 46235.21 18386.49 13632.89 15820.22 16639.5 8771.568 16767.56 18940.67 6690.137 7263.173 11195.65 30893.24 35724.69 28105.02 12410.94 18771.53 36187.94 34398.04 38558.19 18319.6 16717.71 19183.37 44524.69 21663.58422 8644.538 14528.77 18040.23 25038.29 29708.06 4157.429 1834.187 25554.94 9623.811 6915.592 3287.37 28215.03 18942.85 276.5452 36006.46 13475.28 25169.35 5087.411 529.8663 277.9411 3827.898 11853.61 8985.923 9367.378 1219.001 11492.26 13145.93 14509.96 22897.04 12011.1 26956.49 1745.37 3001.85 2682.399 14840.53 18688.76 13747.96 19898.97 15234.84 38256.68 18830.4 22060.51 7702.208363 18695.53 10884 2169.713 265.6389 3521.099 12370.39 43542.71 38524.88 42194.64 26804.8 18849.29 24807.25 21701.17 37716.65 20399.37543 17210.26 39407.09 27542.81 42038.4 57502.22 14158.29 6154.644 23467.33 33279.24 22778.65 30507.17 36383.216 17693.4 33806.89 46907.15 56693.89 3007.89 34411.85 4283.952 31015.49 25489.62438 30234.56 23679.32 6834.583 1480.908 16579.87 2240.501 2546.164 2836.333 5899.206 Tetradec-enoylcarnitine (C14:1) 42967.04 46827.71 10435.6711 56260.26 2957.947313 3107.77 16751.51 23304.37 4827.617 189.7534 5895.529 3732.752 18469.47078 8027.5974 66392.91 21235.53444 15037.82856 23769.45089 16628.65 7324.535 16980.89 23233.59 40343.15 1051.675 3310.926714 4187.354444 3873.913576 10530.93 58.24149 20079.8965 66457.09 5238.757 7196.1355 49052.06 926.273 8334.667 389.9544 44109.72 24889.09 36047.04 40586.03 9836.055889 479.3098 4195.764589 1260.289 45.43126 7839.76018 124.2804 24536.132 16441.13 9731.688 34063.21 15927.57 37177.54 26227.3025 30159.77 791.2165 41621.53 62599.46 18350.33 41567.41 29764.75 27525.97 7517.368 23026.018 22410.01788 37496.18 16310.36 2182.071106 22462.62233 46457.35 5070.954875 16004.78 11830.0934 2019.888 3723.743875 29877.94 12064.5281 750.4653 10371.5236 8550.0204 24591.59 3579.79028 38512.45 556.1013 9985.6028 10801.58233 413.6654 316.4717 872.1663 534.0799 517.4909 2381.661 4414.906011 785.6356 2600.376938 12876.3881 1061.872 8818.6222 196.1053 657.5803 357.9202 709.9872 1319.136 10086.63988 45.69589 4937.66186 744.6772 6436.259911 11011.1834 4097.12424 26280.86 32585.38143 23243.97375 38658.41 54383.85 27095.8025 30467.28 53310.15 10274.094 33385.34 63213.39 20596.67 6428.122 9690.525 20622.87 66675.26 26944.14 12130.8 13284.35 43990.49 29198.21 18485.27 26574.94222 31733.65 27455.07 58554.55 10113.03 3990.236875 60772.7 23454.86388 23247.99 272.4297 6424.6475 5663.287251 44865.54 6940.373 4508.211433 4224.15905 4008.106944 Threonine 14937.98 19367.02 11695.15 12743.7 13479.86 19125.42 18492.745 18206.38 15905.38 16232.81 11011.5 10518.97 14607.74 17598.86 13357.48 17807.12 12670.64 19190.83 15131.36 13481.07 15247.04 11251.86 8673.73 11609.8 10415.01 8706.691 13025.4 19189.16 12914 13666.9 8283.268 18529.29 13071.87 10818.27 20198.76 9570.112 15081.51 19468.48 17404.84 13999.95 13833.72056 20023.1 12341.23 12401.53 11971.91 10553.4 7991.603 15013.44 16951.66 12996.52 13768.66 17178.48 14673.34 11066.22 14649.02 11038.17 11801.39 14666.36 13314.6 21164.62 13348.97 14435.28 16930.35 14307.9 10258.21 9984.673 13481.91 11278.21 9723.417 15200.12 16571.66 6534.85 11688.95 15827.59 17537.38 7883.032 13591.1 10329.07 12302 10287.7 14238.11 21361 11094.68 11260.7 18485.22 21556.57 12236.44 13308.66 11256.28 10021.43 10531.88 10721.56 19306.79 15423.02 11311.13 9800.906 9450.174 12704.54 11399.52 13201.62 10132.38 11679.25 21932.18 18139.46 3597.714 13908.75 10723.62 12540.36 14068.12 10831.87 9916.608 22623.85 20388.68 13657.55 10060.9 19719.5 11243.76 12223.83 26254.44 14089.8 23521.79 21605.09 20845.27 19278.58 19292.21 9245.515 20659.95625 22005.31 17877.4 12055.84 17514.34 19599.13 14636.19 15824.8 21884.26 12596.47 15948.71 19687.58 11206.81 26245.2 19954.87 13335.94 9493.732 17920.19 16447.13 14965.23 9271.768 11287.8 17506.55 9917.17 Threonylalanine 66586.87 73423.173 55980.62 150037.3 25533.15 111485 221530.7 155860.7275 143391.5122 53028.22 101395.1 15436.58 116829.6 24630.88 109224.2 61367.53 48838.78 138663.9778 120206.5 116994.3 134221.6 68911.44667 52307.79 97953.14 28215.64 28690.74 34954.55 110938 82242.84 157091.1 129636.1 73866.72 64259.58 72744.9049 135006.9 52390.98 83391.11 128213.7657 138969.5 79504.78 117221.71 79464.76 74870.26 35251.69 88533.5 74240.67 63598.15 100430.6 227619.4 106967.994 71003.6 82647.15 113500.7 235227.2 62627.62 207874.2 70432.88 203358.4 52538.85 126699.0378 82934.3 230300.3 178190.3 101445.4 143857.2 44749.44 113431.3 106008.5 12301.76 89141.3 38932.58 44729.39 25939.22 83361.42 117755.6 22390.03 61384.4 81681.47 110418.4 59065.19 60126.61 93627.76 18029.1 84681.73 95106.05 54510.43 55895.31 80973.67 72358.38 109746.9 73980.54 85652.55 118150.4 36258.66 98145.46 19824.65 60242.67 90481.06 63507.17 109989.5 63852.54 89357.31 77574.02 95385.38 20360.55123 63453.93 47451.44 76933.29 51773.73 58154.13 34273.74 97277.25 91062.03 126194.2 65398.88 95182.04 134549.173 200663.4 172481.68 35502.75 143934.8413 218385.5 133056.2511 140618.2486 108679.655 127795.6 179026.7 135060.6278 191452.1 101403.5 109240.1189 76321.12 71353.33 153667.5 180217.9857 127237.436 78988.82 227487 9283.12 123110.4157 134507.0333 78915.009 83564.42 50887.81 46514.93 140639.8 75403.53 31550.15 49147.43 44651.11 Threonylasparagine 1251406 1106719 1612024 1195060 822032.9 1189854 1432440 2446840 1603256 1471912 756517.6 460820.5 870292 792473.9 799466.3 753806.5 760705.9 2070903 1113426 1393178 904242.3 1354630 1326138 2122854 999475.1 688824.4 1215989 1677699 1631170 1713228 1095812 1559511 1920647 970694.8 2861488 425237.2 2185294 1570734 1404926 916238.5 1709640 1706730 1994315 1139292 1553561 1661655 1607534 2788852 1151549 1742206 1265046 1753128 1759597 850087.6 826631.6 806660 1640732 1559973 1256251 2143001 898870.7 1197423 1199569 884626.4 1057314 1198582 599980.9 353157.1 212323.7 867632.1 590776.4 1464698 684399.3 2552232 2333439 509514.3 733568.4 2025082 2204438 1418166 1576568 1531897 921340 873193.9 2250965 1425092 1578554 2266327 2063618 2838703 1843436 2595508 2542595 710702.3 2197627 671211.8 1515565 2186443 1683107 2393059 1909858 2047254 1505559 2004226 1640682 1767288 1449027 2104660 1874964 1348069 1251877 1721002 1584208 2368109 835718.6 1322829 1888827 742213.4 2040743 956168.3 2022587 1867724 1883264 2298061 1922560 852133.6 1786392 1679297 2523386 1754654 1901544 1544623 817952 726589.7 1871237 1549075 1112162 1419739 413942.5 2182071 2301605 1108765 2112441 1283172 1195511 1645691 2155969 722441 323198.4 1309789 Threonylphenylalanine 4607.228 6731.316 4298.978 6150.549 710.4551 6622.779 9156.318111 8372.325 13271.38 18259.97 11532.17 3552.888 17015.91 6334.136 5503.661 4645.551 5365.682 5409.103 2234.431 2504.355 6796.458 10633.23 5150.195 2781.812 821.9687 667.496 130.6404 6956.204 13690.76 17702.65 2384.722 3716.376 2100.851 6044.522 9111.3408 1162.938 9570.674 3695.234 3290.179 1767.453 7049.922 2093.663 9616.026 1644.176 6355.613 13225.26 8240.365 2489.692 6654.028 10844.79 11639.97 5219.308 5254.115 10081.38 9798.21 12837.72 6637.342 8287.554 9769.361 6532.69 9559.112 2432.749 2367.531 8553.561 4521.467 6271.324 2148.829 1635.686592 1609.730603 2100.018 6760.706 2939.408 1880.016 18624.29 4503.247 1881.814089 18219.5 8733.323 17980.37 2142.202 3921.087 3868.951 1801.165 3292.562 3542.191 3962.77 10862.34 10420.28 10592.31 19539.32 6651.507 10311.99 5878.628 345.5154 4192.815 964.32998 13446.31 8757.611 9813.35 11834.59 7701.266 7840.371 4031.759 7678.6538 2253.558 4718.975 3960.999 2533.041 1711.398 2532.426 5728.897 7748.32 4724.504 5615.434 8285.269 12322.81 8360.055 10132.16 12032.08144 13756.1 10160.65 12029.6 13314.31 16958.25 11573.81 10606.75 13911.5 4917.365 10873.54156 3567.71 3640.058 19826.41 4584.516 9268.858 16307.97 4521.341 4762.884 16979.23 2827.629 1921.252 12186.88 8745.855 14034.52 4572.561 1211.513 8917.815889 2096.262 131.6183 99.7077 3003.919 Threonylproline 4904.439 10086.86 2530.747 3813.3301 1145.736 4340.348 7224.222125 8217.6776 12887.3 6222.049 2233.956 4819.348 2458.632 1960.60941 3688.193 9796.353 4169.416 7453.316 7656.971 7818.511 2888.259 2013.077 5976.878 1025.362 1556.117 2948.086 6469.001 3284.378 1150.046 7928.372 2253.469 2869.238 4791.145 3813.902 1823.311 2990.196 4765.126 9743.198 2571.362 5025.655 12907.16 6674.303 2200.341 2821.709 7826.316 2989.444 3909.108 2272.391 2357.773 4229.218 3976.014556 9882.88 6078.679 3237.837 2559.722 429.7087 1504.615 2544.884 2593.755 6064.771375 5097.742 4796.623 9964.283 5034.787 3176.213 5383.362 5705.093 3799.738 2456.526 4885.547 5929.446 1875.876 2687.105 2774.964 7917.672 3520.581 7805.569 3256.889 3601.977 3967.049 1830.219 1562.174 1940.8 4140.468 4616.637 5735.129 5866.251 3280.018 4115.4684 5088.495 1756.523 1941.364 6472.905 1162.644 2753.245 2600.359 1738.351 6874.778 3992.255 3793.288 5585.097 3330.856 2368.371 5931.653 4022.264177 7414.359 2552.711 5531.2872 3934.61 4286.4684 4984.369 6703.037333 8073.394778 10872.62 3677.141 8145.764 4105.464 5179.658 7222.11625 2842.35541 10476.39 7328.956 7085.373 6237.928 6185.985444 3195.0535 8544.046 6770.884889 8266.56 4636.206778 8577.134 6897.631667 7558.512 9230.725 7184.954111 5382.016 2801.279 10153.64 12104.19 7529.596 10197.64 3614.164 4647.02357 3175.452 3131.804 4694.667 3901.167 3645.906 1541.928 5158.499 Threonylserine 93210.64 60045.97 67435.01 105985.2 15875.56 21382.39 167654.6 118104.4 111698.5 12614.17 84434.87 15165.94 110370.9 23304.63 106463.1 65632.19778 71369.92 102886.537 34174.67 67393.92 41953.837 52099.37 50531.07778 37714.02 17249.28 30375.54 10033.6 58685.58 70240.82 113655.6 37392.99 47193.55 14880.02 72204.52 36430.42 150625.4 42480.83 113497.2525 87436.44 111017.1 113265.2 55343.85 60601.11 24877.91 19613.99 74126.57 39606.31 29479.33 94040.03 92182.47 180093.7 102859.202 14713.81 157155.7 113023.3 130357.8 13062.8 70434.592 11325.21 103051.9563 36536.39 134711.9 49811.12 31977.45 129515.5 97742.69 94725.33 32665.04 7767.852 135853.4 120130.6 26631.84 143226.6 27079 31139.09 21991.13 98738.61 57150.94 28405.63 82603.15 38471.99 43620.04111 18695.21 105682.4 31584.62 45659.07 11367.2 81510.21 18276.52 38587.39 20827.09 36916.89 42433.63 28553.95 75161.13 15753.42 54847.47 23477.88 31018.98 38783.64 58863.4 24254.47 23396.61 18928.37 29761.99113 65396.89 31358.66 52474.79 25569.68 64647.34 15593.49 162683.9 183984.3 115290.9 76462.32 104344.7 169574.9 82547.9 197639.6 9310.678 101333.2189 103898.4133 157460.5 92920.60375 82586.57889 101429.2 188636.5 107860.5825 19020.91 89667.15 97334.415 142838.8 55545.67 62550.942 105390.4317 184469 135868.9 123807.6 10420.54 98183.88667 100602.7643 109079.3 24825.18 20961.89 15031.75 114723.9 42619.87 20794.06 11178.69 25562.28 Threonylthreonine 107800.9 168172.6 168578.2 115040.1 51106.01 35051.13 166597.6 121378.5 50706.5 106835.3 42492.04 32286.77 151466.1 72186.38 88325.22 123784.6 84537.11 153029.3 228630.4 65796.11 86937.12 106958.4 133238.9 181639.7 60782.08 84734.25 75962.49 61749.09 201324.4 99275.9 26306.84 58556.48 113820.6 119181.2 296023.8 53163.74 168454.1 239675.9 79166.97 87411.35 89860.82 180413.1 248412.9 80618.87 253615 225354.9 152168.9 287741.8 182434.6 97676.9 147335.2 166893.1 26735.04 136548.2 86928.04 61703.25 111728 140827.1 107755.6 182604.5 93688.76 122342.3 71074.31 154131.3 49172.66 146922 149768 41394.33 20668.26 185628.1 137903.1 92223.8 52631.96 155649.2 203773.4 69585.27 24850.93 220793.3 254724.9 194947.7 120754.8 111031.1 55160.38 35089.65 280488 165344 107446.6 255765.4 145332.8 202863.3 192509.7 240116.1 183105 83538.54 238210.2 41209.38 191999 223780.6 186341 347875.9 185195.2 160538 193137.1 220196.8 84293.29 261796.2 97576.45 225518.1 142653.5 182439.2 77201.34 196111.5 175744.1 133384.9 165388.2 107688.1 137087.6 111943.6 177349.4 79558.54 151252.1 139496 147354.4 106499.3 115048.1 87006.1 203615.7 221923.5 32648.68 76858.34 166153.7 149501.8 74913.89 127563.7 174694.8 178487.3 168647.1 118258.8 27899.72 185766.7 153102.1 119475.4 144533.4 104095.2 93566.97 156341.8 185705.1 71558.8 28594.08 74231.91 Thymine 16148.48 24901.94 7641.4 14861.73 24297.21 15294.7 14421.34 14499.48 8577.121 850.2501 13409.97 6443.221 9864.577 7315.4959 13965.24 18834.09 11477.03 15579.47 10899.039 21739.32 20270.02 10027.7 21633.29 18347.11 17142.74 16403.46 23959.02 16291.67 17542.78 23418.77 10502.37 11427.48 14169.88 19915.01 29111.14 17010.97 20418.99 9744.057 27118.85 23762.78 9242.535 23879.97 12486.91 13882.65 18674.16 11134.54 9703.648 24905.76 18472.98 11538.9 12022.02 10099.18 15926.52 15065.89 19436.78 8450.499 11352.26 22170.26 18088.73 10836.54 10986.06 18181.51 22146.1 8294.513 10382.9 11290.85 13283.21 16913.31 7096.801 13436.15 11364.22 10154.19 16576.45 6620.914 23246.7 14806.52 14041.02 10567.77 11214.54 7068.048 11932.09 17642.25 5064.774 17888.67 11481.806 10325.4442 1171.159 17262.21 5690.866 14190.76 7578.685 24471.78 28341.42 26744.61 13965.46 10515 10683.52 16800.19 9645.119 8478.953 10329.35 17635.11 21159.25 14643.32 1619.078 12429.71 12694.69 8732.717 13837.45 15021.52 5985.221 10530.68 9868.063 3627.377 15844.49 23414.03 12904.13 11123.52 15874.62 1430.158 12576.69 13280.44 10615.71 23935.78 7957.418 11754.87 12180.14 9402.535 13653.08 12827.74 8059.094 11848.67 10367.21 15034.24 9891.958 3869.986 9380.475 12685.61 5960.8034 5859.912 13879.24 12261.13 6064.832 11343.23 15335.4 12481.28 10958.47 9084.021 29612.01 12011.65 Tridecanoylcarnitine (C13:0) 52730.04 55212.96 35033.09389 69081.73 10579.2105 46526.81 31233.48 37425.33 29101.29 26990.21324 35765.16 7833.665667 46705.16 14818.48911 48847.63 42100.63 44863.53 55961.75 41334.28 54518.35 37273.06 51097.12 30674.1 35381.0625 10475.78275 10170.17225 14802.40663 42623.9 37778.42685 54461.2 62847.63 45829.84 26125.41 49025.07 35350.91933 12721.15 25577.18794 44727.97 49780.91 42094.1 27886.78 24877.23344 39817.24998 16523.1507 41883.5569 36170.45233 32245.66211 23993.08318 46362.74 36478.895 30919.34 42146.6 47796.01 44154.7675 56151.67 43511.04 29511.15695 58142.66 59465.47 30650.1 44569.81 59827.98 51849.81 41710.83 55588.51 62600.2 40112.52 13019.47 3799.484281 57898.99571 43315.49 22049.44163 20155.5 41052.93622 34255.1088 10328.22644 61895.4 43419.61878 35883.47053 31466.21588 30483.741 23969.67 12397.79593 33568.09 30188.31943 24535.70956 36555.08978 47908.75654 29135.38397 35573.90016 39840.99259 29094.59139 37119.035 12086.6005 49164.34656 9152.68525 40499.04 32219.678 32023.02233 33029.44633 36950.36003 38723.66902 31433.57372 37968.81078 63388.23 45876.82077 18468.67867 42805.07102 23943.58213 46646.56678 15026.53102 42886.37 42501.13 53235.09 37485.08 70591.23 44318.25 35904.46 38235.23 32538.26889 46675.71 46880.34 40650.56 48560 34967.62 45842.19 45848.51 40423.59 42189.86 27629.01 48970.88 44842.48 42386.66 37454.35 35315.31 53678.78 53600 29983.89 6101.328 41817.9 45919.48 44946.45 29824.40097 21957.786 13505.8502 55337.63 25657.52875 10699.369 9858.524 17298.407 Tridec-enedioylcarnitine (C13:1-DC) 40568.39 49534.68 49063.91 22005.08 6661.904 69925.65 81251.6875 103872.2657 97492.54 40608.3279 85243 59184.32 85089.73 152962 47882.82 59110.8 64546.27 46805.98 34167.04 72864.37 27578.73 38639.68 31473.22 44288.35 6890.054 7939.119 19737.84 27554.72 42525.05 75400.2 33370.65 21975.77 74791.99 15162.19 19409.4 13126.42 6651.618 88157.305 158204.1 37751.82 46338.33 52028.61 85174.01 29451.75 48472.85 93410.62 23445.72 25365.77 37332.84 64633.88 122239.2 96514.98125 15282.4 40856.71 72236.02 127312.6 103724.9 52547.21 42352.24 86012.1 94125.16 76472.93375 28832.43 53332.2 68179.45 52020.75 91624.68 11446.23 7024.689 138227.1 28955.17 33076.28 13816.48 67249.56 46223.47 4061.324 83191.84 89264.3 62343.47 29714.07 14750.7 9799.48 15625.93 45043.39 27902.37 28462.58 11917.79 57242.81 36288.44 37152.28 73331.83 35645.27 59530.35 8223.605 15225.29 14846.81 69833.51 63842.22 81968.82 71869.23 72082.88 99761.28 52598.54 70155.09 6388.693 81952.06 40046.6 11875.76 3619.707 25187.45 54874.09 131692.3 133703 107519.7 69224.68 60890.98 67618.55 63832.39 97321.13 35506.30778 35121.55 126015.1 72406.96 103286.9 70623.494 40674.12 21741.54 101528.6 124630 67057.8 91269 78230.19857 45661 76878.14 153382.6 89051.7975 10344.81 144967 27654.17 112413.8 148613.6 73145.07 86725.6 25055.3 10318.79 48293.29 14697.64 7405.289 9142.772 22294.95 Tryptophan 2559743 1801989 1927440 1746109 346948.8 3161387 3161642 4087933 3864108 1537881 1471840 530858.4 1669651 1318652 2112970 2044623 1743197 3185469 1436737 2876141 1850946 2033826 1568915 2454524 546208.9 673065.1 1376269 2557529 2668349 2865358 1211539 2787896 1561477 1611831 3208670 700005.3 2451673 3325868 2152477 1812807 2978037 1556259 2105550 1099002 2380574 1626522 2281572 2730820 2137406 2100217 1718419 3369341 2103380 2678626 5323274 2000197 2379044 2670969 2014598 3091484 3160135 2104035 1891122 2812686 1945878 2343139 2455760 484135.7 354541.8 2622557 1968612 769782.4 812426.1 3903763 2917871 557585 2240936 1795776 2497082 934370.9 2560887 2196777 936004.7 1075218 1253266 1490205 2177996 2244912 2897141 2253411 2496342 3063746 3281973 651553.6 2161716 310058.3 2030214 1878369 999608.4 2792047 970583.8 2077459 3283181 2684135 719.7008 2732487 1080287 2602811 1134966 1548577 1131087 3540398 3337670 3081482 2964149 1925650 2021340 2030425 4533328 1822099 3380456 1749733 3180829 3145742 2273978 1491246 3674877 4019477 2787408 2644045 2449960 3264609 2178381 2206613 3781131 2623697 2120713 3336959 445246.8 2893845 3083302 2228919 1733558 1400293 865899.2 2365180 1349953 688005.4 941134.5 578842.7 Tryptophyl-Proline 4266.96 4055.038 5735.41 3263.083 939.1982 4556.383 5358.595 16118.72 5698.846 8324.443 3561.904 700.0704 4308.527 1989.082 2168.678 1008.376 4832.804 9117.896 3996.605 7210.296 1394.798 4328.572 3587.405 7203.629 1077.909 141.0555 2047.026 8471.953 7112.405 8514.448 3593.307 8188.136 8479.643 3003.987 7455.47 241.7683 4727.468 5133.941 5066.763 2113.553 7042.138 2370.546 9878.575 1993.745 7476.152 5551.007 4520.987 10975.25 4044.022 9317.674 4101.092 5103.984 8631.316 1341.702 4006.21 2389.91 6791.316 5756.296 5760.343 6330.529 5281.612 4004.125 5660.787 6639.38 3038.064 5798.495 2895.36 71.94931 692.211744 3354.544 2237.822 3263.496 888.5451 15513.65 6464.986 1521.562413 3239.019 10473.68 5552.376 2941.989 4859.314 5298.558 2341.454 1199.586 3795.747 1393.879 10597.93 9933.494 8777.308 13731.2 6419.975 13642.8 10444.54 356.0512 10007.39 673.1974 4372.025 5137.229 4555.638 9003.328 6817.709 7031.745 4096.077 7736.361 5557.662 6860.168 3047.715 10243.97 4397.25 7857.569 2663.785 9122.355 5049.031 10399.92 3695.306 4846.945 5204.118 3877.882 6197.026 5607.813 9673.162 7510.912 7565.501 14361.07 9635.509 2864.917 9720.063 4978.646 7422.3591 5627.854 7061.989 5663.509 3215.613 1458.842 5520.346 5909.555 3499.057 4258.321 430.9754 7437.2444 12034.4 3916.572 12593.83 1714.404 1589.966 8079.513 5234.594 423.4395 1620.266027 2532.046 Tyramine 23410.38 127763.3 99883.33 20718.29 5316.333 29961.28 68038.14 49756.72 30341.29 17087.84 84464.52 3915.533 73507.93 32463.8 14813.06 17845.6 22371.31 16442.28 71436.64125 133410.3 14377.85 24841.43 81044 34044.86 11737.49 21358.92 55969.03 93639 73707.01556 21049.12 21076.36 111535.5 22783.09 85443.33 41714.95 29355.95 55431.2 54186.77 87864.97857 12462.36 16475.58 57547.22 94723.05375 41612.71 70292.78444 141201.2 23327.54 30730.03 119541.5 28464.61 39479.23 23444.57 24381.8 39192.75 156755.4 138385.8 25234.4 22022.16 23158.57 71939.02 17936.22 84060.51286 42509.59 124358.7 153944.3 103754.7 114168.1 6091.159 8975.097 157971.6 82929.57 44984.2 11612.31 29406.19 33970.84 37032.63 83941.8 82182.34889 93560.17 104304.3 34541.87778 19390.34 12180.51 39586.94 87405.79 66035.18 19434.39 85257.205 25869.76989 40246.7 121283.6 93771.33 35389.19 9187.252 115512.8 50248.31 156735.2 70074.06 54691.06111 84997.78 60399.92222 137722.3 82282.92 126265.8 62.96038 86677.078 21068.63222 75236.41 41901.1 67069.6325 12296.84 65283.8 58572.04 20745.34 86647.37 28594.36 19664.83 77217.85 64975.91 18256.67 27384.28 15740.72 31535.44 28167.06 20332.71 15941.5 63819.7 95770.33 21669.73 45614.02 56449.52 20054.84 21319.63 24900.45 62001.43 73408.81 105160.8 55410.28 1928.748 85522.47 22318.37 62895 40916.71 12810.6 13230.81 76351.18 38215.29 8274.75 7359.078 105812.6 Tyrosine 92270.06 84882.98 94813.31 122207.8 35481.95 39533.42 89567.08 117145.9 53470.82 138496.5 32637.45 31026.19 114284.5 31423.94 82199.72 91877.55 101189.2 153657.9 36393.6 55819.91 65862.05 72835.22 69772.11 193061.5 37997.84 34584.6 55456.39 33666.01 99043.22 111541.9 101673.7 40016.43 90019.88 44327.82 79109.99 35575.5 132281.6 132351.3 55757.5 73696.56 91089.44 100062.8 122990.2 40221.79 190919.7 84500.13 97221.75 44813.88 104819.2 139701.7 102708.1 142135.3 15247.24 104640 48485.96 73392.12 97439.43 110708 133816.8 129240 103433.1 102972 88544.19 29914.34 101750.7 143744.6 87324.44 27450.1 10942.28 189256.9 98124.66 71712.74 42955.36 125651.4 174604 43018.29 74864.63 146784.2 141607.3 75838.32 87096.16 43947.92 55298.43 65519.07 62771.93 71673.96 134931.7 101633.7 73448.12 95502.13 111669 90738.14 153174.9 60806.01 116428.7 35830.75 75909.69 154049 98842.1 112463.9 104972.6 111773.8 159506.9 212033.3 102683.6 105966.7 61276.48 150350.7 76891.32 128077 62947.68 183495.8 176702.5 139078.3 95071.46 140447.8 97282.34 91605.84 106938.2 43582.66 137031.3 129196 114492.1 77116.17 114230.2 80348.71 126487.6 122140.6 66913.06 40604.67 133252.7 163195.8 45515.25 86474.95 106192.9 137550.6 113950.2 82824.74 26177.52 142739.7 138217.6 85937.61 179586.2 81062.57 79830.24 94231.81 75291.58 44399.7 10616.41 65076.27 Undeca-dienoylcarnitine (C11:2) 18242.85 31004.76 11961.05 18373.55 1947.341211 8661.654 61365.3 60651.82 37794.19 9732.59 29930.23 3136.801 20478.83 15667.75 37568.92 19755.76 19730.34 47802.46 25945.792 35910.74 12612.33 22622.35 32047.65 13336.6346 3382.75925 1350.661 74.67031 24086.2 6213.313 38197.86 15385.82 17159.19 7144.906 23892.39 7077.512 9634.133 5654.263 34981.03125 59787.4 14494.11 35225.74 6323.937 10803.83 779.66 8148.271 25679.43 4338.884 6016.03 34954.87 18353.42 47962.78 39229.78 9289.851 39212.66 30446.52 30208.32 1831.204 50646.37 26921.96 31634.76778 14828.37 61858.44 20961.24 31673.18 28139.43 17754.94 22820.02 3091.123 1057.490043 32271.27 51389.17 2099.912 8093.528 1141.461 6584.392 1697.014 61228.53 8010.862 18826.31 9412.182 2698.831 16560.33 545.6544 15540.7 7471.724 3678.84 17563.79 9419.659 2597.418 4087.65 5876.905 4368.026 4070.373 464.0521 10995.4 1760.337956 7650.13 7499.333 7779.803 13989.29 6904.715 2309.099 6804.415 6704.076 17374.76 32505.76 2160.125 7185.106 4061.482 4296.381 167.7722 42796.95625 38339.75222 27809.91 42978.76 15624.28 43483.53 35180.71 36517.95556 7486.101 63302.79 58847.8 28697.398 27382.76 50730.61 35651.91 28938.67057 33661.67 947.6092 41784.17 49638.93 62593 15012.4 32311.19 48794.22 54472.17 59874.68 50533.23 5991.259 53999.09 38519.62 29053.5 1258.404 2192.562 832.4867 37039.69 3441.316 141.6309 978.9665 562.4625 Undeca-trienoylcarnitine (C11:3) 26271.86 20728.76 15252.58 16340.03 4416.237 35116.85 36529.77 47096.8 21436.83 12612.13 13464.65 3221.016 18821.74 7310.739 13760.31 16134.96 16328.79 14978.52 14657.34 18474.88 14139.12 31115.84 23726.18 34322.05 6033.238 6418.649 6507.201 12381.3 36683.07 17264.42 13361.67 14557.64 9397.158 13276.25 23169.84 6881.065 16194.35 27731.27667 20655.59 12421.03 29414.09 13703.98 40804.96 8570.138 44054.42 403.2219 34681.44 22110.7 32589.61 30219.11 21677.91 41931.42 15620.47 24710.27 19996.23 30509.87 16225.57 37222.45 24392.12 32894.12 19482.8 24045.84 9923.235 15064.79 20906.46 32904.46 18603.37 6146.63 1859.284 22856.31 23878.71 10606.12 8824.75 17255.34 20851.53 6087.357 18604.08 22240.28 38602.56 33095.5 26261.83 14427.55 7993.699 14282.72 17778.39 12711.19 12921.52 21651.19 27934.19 33856.13 18983.04 37659.74 19646.37 8664.465 21485.02 4314.604 19485.53 19110.43 29891.92 42679.96 16343.84 16220.4 18003.3 20419.08 17746.72 16780.99 11116.05 19827.72 11877.32 16740.99 7796.685 45308.89 27387.2 23276.05 21254.68 17348.7 27508.64 16158.45 35842.92 10927.05 39660.18 24710.92 31309.52 25842.88 38219.42 13953.64 47356.57 35719.26 16722.07 13704.57 49732.07 24725.67 18112.44 17650.69 35011.96 30605.00778 18045.27 35591.08 2029.003 45895.5 1922.992 22290.98 14630 12938.27 9480.115 22735.88 15311.84 6927.517 2109.209 9594.91 Undec-enedioylcarnitine (C11:1-DC) 247661.1 149612.4 29249.38 252433.7 10093.94 145455.1 159111.2 189769.8 180948.8 39462.1 57244.11 15455.81 172033.5 26154.09 174697.2 226529.7 102569.2 188666.5 69746.28 83130.85 134649.6 247751.1 134879.8 34440.43 11924.42 15759.2 13193.82 39845.17 35497.55 99914.73 109627.1 100278.1 20991.24 108758.9 70176.18 72312.76 36521.56 263715.6 77446.72 150820.9 92911.08 45793.44 23002.15 20259.09 46283.75 45485.74 52935.61 56167.3 158531.4 123299.8 252903.6 174543.3875 59566.14 160253.243 113446 118648.246 37702.29 255853.9 223369.1 233071.6 177404.8 165464.4 115062 44663.59 90240.24 179443.9 122588.2 63423.44 7060.36 133500.7225 91482.167 24905.49 114504.8 21281.86 45469.44 13802.15 154113.8 39141.76 64407.09 45470.89 51249.94 155335.3 24421.84 219723 47118.71 32604.93 30234.91 29779.06 40689.47 41096.4 37862.78 43580.73 33813.56 20143 24989.56 15824.85 54144.82 48929.83 34879.26 69180.1 28945.17 41010.78 46321.32 44059.43 126258 30469.68 28788.1 30712.77 24275.54 35535.09 21520.47 171445.65 285623.8 299119.9 206562.8 185073.4 258385.2 122696.2 250900.5 26388.39 257301.2 252425 247717.9 135822.5 159977.1 123386.9 199498.1 273796.5 109209.7 87970.98 241752.3 312016.6 150911.6 197918.1 229424.08 161921.7314 189022.2 136082.7 11906.89 155559.3 178686.5571 226252.2 30193.63 38328.12 30890.67 241819.9 46183.44 18584.22 26351.8 23711.59 Undec-enoylcarnitine (C11:1) 13021.89 16444.29 7137.419 13057.18 1102.689 3349.724 12583.49 17810.16 7560.018 7106.161 4778.648 1719.623 14658.15 3986.956 9650.284 8277.358 8657.629 19106.07 5385.919 6069.696 5821.187 11981.41 9837.847 8613.282 1304.537 1509.281 2113.1 4429.475 8438.762 12368.92 8960.912 5701.923 4833.722 5939.651 9008.629 2991.108 5838.553 15529.70857 5502.213 7618.047 10363.81 5333.414 9596.952 2461.771 10080.33 6217.86 6005.274 10313.05 11311.6 11687.27 12404.41 19228.51 3836.115 20993.36 13657.65 10813.01 5837.028 16888.48 12367.24 14294.51 10780.5 14592.48 9197.434 4574.352 11459.27 13875.25 9428.156 2952.576 270.4236 20453.65 11200.22 3583.39 3636.073 9421.668 10296.39 1419.636 9555.371 9953.979 9638.774 5529.331 5644.97 6684.062 2260.89 10151.07 7487.49 4444.874 9620.458 9740.688 7190.669 7922.926 8865.061 9517.01 9762.7 2391.723 9440.722 861.5659 5943.394 8340.686 6129.039 9665.629 7715.164 9052.947 7492.967 10850.21 8786.29 8771.954 3416.533 11233.16 3664.109 6489.329 2320.963 22418.76 20242.54 24899.65 10022.55 10250.16 19481.22 7910.213 20026.49 5806.266 17876.41 12449.01 17698.21 5899.986 8968.396 6415.461 20863.1 24759.26 5720.148 3838.097 20752.99 15993.8 5948.652 9320.525 22222.39 18494.02 14379.95 9237.669 804.1383 18760.94667 19387.57 9868.544 10032.86 4789.633 2742.655 18919.7 4911.518 1537.619 147.4863 2693.046 Uric acid 392009.3 438410.1 167476.6 363672 118783.3 831871.3 412417.4 696031.4 561236.3 726611.2 526605.1 237933.5 416926.2 179689.2 207042.9 323893.6 439624.7 672915.4 331278 437399.2 371691.8 464034.4 242180.6 372415.9 101780.3 226525.9 224198.4 404473.2 489271.8 512438 236536.1 470307 273461.5 362397.2 307264 267387.8 228522.1 623719.1 568961.2 336298.9 454722.5 282272.3 240981.5 208524 405531.9 392876.2 345870.4 342394.6 339330.5 500377.1 382164 444626.8 257592.3 500587.6 346710.4 414069.4 371905.4 351382 484784.2 491850.6 468689.9 447401.4 391450.7 203245 432052.8 227640.5 197069.4 248031.3 76236.06 584192.1 312488.2 186606.2 192366.4 278446 325691.9 147647.1 426176.1 358272.7 408790.9 295892.1 208354.4 155619.9 170975.6 217705.9 334745.6 313265.1 171672.6 247971.7 304941.5 225538.9 290675.3 414405.6 453429.8 221493.5 361231 150447.5 262565 351563.9 206225.3 328996.1 271154.7 263192.4 287311.7 378829.4 6075.972 332341.6 250996.8 172726.7 111035.3 259680.4 202440.2 615414.5 332023.2 531003.3 348569.5 426172.2 705680.2 300406.1 411631.1 334909.2 439116.3 453664.4 444599 555970.2 481059.8 367159.2 465486.3 368693.6 849217.5 574059.5 415535.9 658568.5 432741.7 355055.4 631433.1 591928.4 274385.7 488194.3 133500.6 386446.8 474903.4 478963.5 432782.3 300423.7 200853 466462.2 151263.7 194466 132305.6 165471.8 Valerylcarnitine (C5:0) 24264.7 24281.79 32741.75 16382.51 3872.178 28225.8 39048.817 44215.05 44963.63 47579.05 30313.87 6330.688 22021.51 14860.6 21063.38 31543.64 21170.15 30623.74 21374.4 26645.4 22275.25 20922.44 19750.57 32576.82 5181.473 10008.14 7524.139 47689.5 17143.65 31547.36 6895.289 65843.04 12372.3 9717.512 31307.42 9909.087 21130.68 60183.3 31820.64 14000.72 62925.2 24012.08 34235.95 7842.76 34963.16 32617.59 17233.14 22420.26 23956.12 12854.22 23956.99 41816.48 15087.09 24696.79 26173.87125 15582.22 27227.96 57188.93 18476.01 53697.23 40702.72 27320.39 29103.19 22774.295 21387.81 22964.57 27116.79 6419.954 1672.869 56576.61 17880.93 8790.941 7695.178 45050.65 41420.26 2695.28 18793.32 19871.12 16039.81 9907.845 21282.65 22936.37 11932.75 9776.695 18003.8 15748.82 33129.56 21995.67 17140.36 20945.31 21850.57 20367.9 45774.21 4479.519 30640.38 3861.493 18447.71 19027.7 20184.5 44696.08 10368.2 15494.02 46235.33 32141.19 12107.32086 18377.16 9758.578 40230.1 7212.729 22060.48 13723.05 33823.43 30467.84 27600.61 31995.02 25414.79 14999.28 18010.29 46252.04 19212.52 53437.64 34478.45 33793.45 25788.86 29157.96 16950.77 37808.28 38802.46 39407.69 43319.45 43408.04 36518.04667 28120.49 26038.19 64565.59 36681.7 19489.96 34394.55 8385.6 27064.89 25088.83 11603.77 20048.64 13922.74 8101.743 36971.08 9458.179 5796.366 12879.16 8312.823 Valerylglycine 6876.008 13047.5245 21131.54 2590.146 5345.865 15328 28983.31 27487.05 22380.06 8593.129 7113.215 13492.8 6772.917 9531.8731 12395.19 16694.78 30430.71 43794.23 4267.751 16952.01 6020.6 9707.5445 8912.98 8283.807 1810.772 4392.939 9531.3 46620.25 10019.46589 4843.743 33430.91 46892.74 7831.686 9168.2946 22064.9 41778.19 6130.09 19986.46 15197.77 8366.237 32402.73 7450.676 5690.643 4488.147 12143.99 10343.549 12341.97 12209.8887 13198.7146 13312.38 15541.9431 45616.9 6928.412 12611.3791 10133.26 21797.41 10502.7832 10833.52 8195.777 20879.23 5632.257 10873.28 20870.82 14587.5554 8209.888 13342.7056 8463.008 6198.797 24170.1 3499.634 8427.589 4181.131 6200.7542 28052.67 8779.751 7164.87 34343.63 3621.692 6010.454 7051.021 10958.7 6133.329 1912.206 25801.42 5873.072 11419.93 11563.9155 12960.9577 17136.49 11652.895 9395.8229 6610.871 14695.6271 1418.036 21227.2 12828.01 3171.001 8002.921 1632.867 12437.47 34386.14 8303.817 8241.246 6121.03 7349.574 11516.98 32350.36 10607.0711 6344.779 12749.2 6044.0648 23171.03 19967.12 33096.5 7987.295 15809.66 46852.09 12449.77 39407.57 44849.08 19714.55111 14276.69 17218.61 29905.54 22773.97 3506.454 18668.5 26350.81 20073.98333 21912.73 11598.37 14647.7 9267.803 18515.25 23002.44857 15214.555 6873.907 22820.51 12990.32 15860.61 14648.94 11392.86 9421.2965 9637.409 6937.15 13862.1317 4452.729 7005.041 1895.371 4331.8992 Valine 74242.67 61763.64 10492.37 87590.29 16392.65 47567.9 95236.49571 111768.67 96453.09 30690.25 11387.94 15861.11225 83637.17 2410.558 41945.13 71773.17 114526.3 170740.2 47773.72 72143.38 31829.58 43978.03 53252.5 40280.34 12925.32789 18661.277 8352.333 74635.8 26713.47 100120.8 61732.63 33483.33 30044.27 47634 41711.08 13484.68 27441.66 144318.5 56084.55 52102.08 152460.3 17526.71 39524.04 1405.582 48865.91 12140.16 27326.96 43070.5 70783.88 140717.7 90518.615 107378.5286 17377.96 92108.84 64426.54 32876.5 37115.27 71372.75 119445.5 149308.2 78523.28 91643.27 125080.7 19726.04 66235.61 113272.7 68203.58 3531.472 17645.31656 66183.63125 49566.09 3288.31 25229.53 35987.08 54912.08 16524.789 83087.13 33526.02 28182.69 101.2572 38852.9 79250.28 8970.21 24907.92 21983.87 6443.609 33432.27 27218.04 24786.51 43522.44 20378.74 37285.29 56926.73 709.6802 63099.17 11243.8603 16211.21 34841.68 16203.7 28841.71 37894.18 29990.83 36159.69 40366.48 53436.85 11371.74 13138.35 35242.43 4776.28 31189.43 2270.862 90562.64143 79964.80286 91798.9325 60019.28 129284 145861.3 68447.71 164670.1 12934.19 166049.5 173876.7 170442.1 164263.5 86228.756 44188.39 108632.4256 136802.2 122529 77638.43 142882.3 169719.2 26657.18 45982.37 126989.3 133462.8 76351.22 111972.7 15628.55616 153843.3 109054 65924.54 45850.17 7294.984 4229.273 68285.17 15623.76 1617.622 21754.0124 8741.657 Valylleucine 92480.66 172049.8 67361.1 49480.63 12709.45 70581.01 96870.03 93115.9825 83460.49 13508.21 32427.47 18155.43 131752.4 36211.16 26218.18 55609.71 37622.51 59219.38 85739.6 152365.6 55842.48 16873.07 62572.96 141410.3 22107.75 57635.48 19591.92 138737.9 46339.75408 50018.081 63137.87 98322.15 1574.756 9794.355 35267.62 46458.73 27857.88 46452.28 27538.18 32889.29 26259.39 30362.47 60215.27 18050.62 53371.365 42767.99 68531.58 47638.641 53933.57 183516 28453.43 47758.38 51820.709 67521.408 62768.79111 27012.71 46704.6 41537.37 48377.91 99517.85 75507.17 12828.74 108869.6 5729.33 35858.44 41622.74 70564.3 32413.68 6441.172 119201.7 105074.5 13862.74 25184.97 41169.9584 152897.6 8204.917 107969.2 17867.07 87680.97 35681.74 11548.13 10886.4 8887.077 35390.73 127903 40318.62 6561.517 87858.63 117842.3 43819.7441 51695.99 48443.2332 49824.695 56247.51 4865.435 11116.76 29899.64 166738.1 24721.56 83093.83 43781.39 30835.76 54953.36 59427.106 20498.5475 76401.18 7134.377 12383.72 17956.35 103342.8 37982.79 143618.7 169718.8 85548.83 67492.85 19908.13 124027.3 88993.22 127213.1 130969 71297.05 57017.54 112862.1 42431.72 86345.61 19867.64 26996.23 183379.1 94858.08 101340.5 67509.51 117995.2 68039.72 65166.79 96915.99 114148.2 2047.013 122888.5 14460.9 121913 53926.63 28747.23 88200.23 11412.04 12711.59 123150.2 17224.87 22239.33 36717.41 20135.22 Xanthine 3341.357 4801.345 2307.606 8829.263 1272.603739 6554.251 6382.089 11707.25 14601.98 12675.35 13913.38 2814.694 9039.893 3635.721 3144.264 5546.094 4392.881 5102.354 4667.438 6587.401 4948.238 8902.909 4063.687 6875.817 1811.154 3305.335 1437.836 2451.961 4544.078 8154.132 4435.034 5716.214 14584.98 11541.85 10880.74 3887.899 9969.996 10788.34 6328.735 4607.077 13752.06 7129.904 12862.26 2979.183 3554.836 7518.417 3659.064 2586.919 6782.602 11438.14 17978.21 7490.174 7130.397 3105.542 4112.378 15811.55 6681.929 7348.721 8267.302 7573.259 11160.08 12930.73 2628.62 6571.852 6025.283 3544.795 6841.039 89.51071 3203.732 2284.049 5427.957 3206.844 3022.08 8532.31 4289.719 2586.526 12643.77 8243.826 12593.86 3876.548 3483.075 4731.878 2541.883 5177.119 5487.659 2898.544 8739.216 4124.178 8101.682 5198.219 7746.71 1842.333 5946.728 1187.032 15273.74 1612.175 6428.849 7571.07 6223.16 10674 5620.82 5481.536 5355.548 12736.32 65.04177 3123.065 7574.803 7021.655 2855.74 4385.949 3995.957 8275.095 14710.52 7386.105 4251.056 9049.566 12196.99 6452.853 14121.24 8146.795 5738.73 10549.31 11866.81 12300.31 7671.151 7456.123 10231.64 5857.296 14246 12472.51 5895.961 17943.94 6495.372 4230.218 13797.75 7288.899 18235.08 7060.584 3639.489 6379.154 8618.0459 9086.938 10622.76 4253.159 7343.281 10456.84 3104.171 1589.285 2755.28 3019.532 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z PubChem CID 4-Aminohippuric acid 195.073614 2148 5-Aminopentanamide 117.101989 439358 5-Hydroxyoctanoylcarnitine (C10:0-OH) 245.1357414 156962627 Acetylcarnitine 204.1229005 7045767 Acetylcholine 146.1173328 187 Acetyl-L-arginine 217.130312 67427 Alanine 90.05441433 5950 Alanyltyrosine 253.1172702 92946 alpha-Ketoisovaleric acid 117.0540209 49 Androsterone 291.2285631 5879 Arginine 175.1190517 6322 Arginylasparagine 289.1611508 9900579 Arginylglutamine 303.1767636 7019985 Arginyllysine 303.2156031 6427006 Arginylmethionine 306.1594273 7019989 Asparaginylglycine 190.0838649 9899050 Aspartylphenylalanine 281.1122069 93078 Aspartyl-Serine 221.0777887 9964514 Aspartyl-Valine 233.1144279 7009616 Asp-Gly-Lys 319.1615268 9883476 Biocytin 373.1908219 83814 Biotin 245.0989419 171548 Butenylcarnitine 171.0648729 53481615 Butyrylcarnitine 232.1537569 213144 Caprylic acid 145.1218984 379 Choline 104.107158 305 Creatine 132.0764751 586 Creatinine 114.0661563 588 Deca-dienedioylcarnitine (C10:2-DC) 283.1141338 Decadienoylcarnitine (C10:2) 253.1405312 156961528 Decatrienoylcarnitine (C10:3) 251.1245609 71464493 Dec-enedioylcarnitine (C10:1-DC) 285.1301859 Decenoylcarnitine (C10:1) 255.1561859 129628702 DL-Dopa 198.0734597 836 Dodeca-dienedioylcarnitine (C12:2-DC) 311.1454943 Dodeca-dienoylcarnitine (C12:2) 281.1715426 Dodeca-trienedioylcarnitine (C12:3-DC) 309.1298554 Dodeca-trienoylcarnitine (C12:3) 279.1579575 Dodec-enedioylcarnitine (C12:1-DC) 313.1610418 71728376 Dopamine 154.0841513 681 Epinephrine 184.0967709 5816 Glutaconic acid 131.0360523 5280498 Glutamine 147.0760886 5961 Glutaminylcysteine 250.0832069 18218204 Glutaminylglutamine 275.1363237 7010588 Glutaminyllysine 275.1716342 16047672 Glutamylalanine 219.0984915 6992506 Glutamylphenylalanine 295.1291909 111299 Glutamylproline 245.114249 11218768 Glutamylserine 235.0915289 6995653 Glutamylthreonine 249.1092073 6998031 Glutamylvaline 247.1281247 6992567 Glutaric acid 133.0511321 743 Glutarylcarnitine (C5:0-DC) 276.1431764 71317118 Glycerophosphocholine 258.1098953 657272 Glycyl-Aspartate 191.0672917 273261 Hept enoylcarnitine 213.1099159 156962601 Hepta-dienoylcarnitine 211.093574 Heptenoylcarnitine (C7:1) 272.185127 6426896 Hexadeca-dienedioylcarnitine (C16:2-DC) 367.2103851 71464545 Hexenedioylcarnitine 229.0690512 71464489 Hexenoylcarnitine 199.0578248 129846791 Hexenoylcarnitine (C6:1) 258.1690181 156963438 Histidine 156.0766216 6274 Histidylhistidine 293.1350294 6993105 Homocysteine 136.0463963 91552 Hydroxybutyrylcarnitine (C4:0-OH) 248.1465712 53481617 Hydroxydecanoylcarnitine (C10:0-OH) 273.1672562 71464503 Hydroxydodeca-dienoylcarnitine (C12:2-OH) 297.1674631 71464579 Hydroxydodecanoylcarnitine (C12:0-OH) 301.1974808 71464535 Hydroxyestradiol 289.1763891 68147230 Hydroxyheptanoylcarnitine 231.1201303 156962595 Hydroxyhexanoycarnitine 217.1061936 53481624 Hydroxyisovaleric acid 119.0724633 69362 Hydroxypentadecanoylcarnitine (C15:0-OH) 343.2465503 156962174 Hydroxypentanoylcarnitine 203.0884017 89553735 Hydroxypropionylcarnitine 234.1330044 53481613 Hydroxytrideca-dienoylcarnitine (C13:2-OH) 311.1822422 Hydroxytrtradeca-dienoylcarnitine (C14:2-OH) 325.1997383 Hydroxyundecanoylcarnitine (C11:0-OH) 287.1819844 156961628 Kynurenic acid 190.0525097 3845 Kynurenine 209.0918291 846 Lactoylphenylalanine 238.1060205 170835686 L-Carnitine 162.1128691 10917 Leucine 132.1023001 6106 Leucylalanine 203.1385947 259321 Leucyl-Cysteine 235.1129891 10037021 Leucylleucine 245.1854919 94244 Leucylphenylalanine 279.169829 259325 Leucylproline 229.1541023 80817 Lysine 147.1128249 5962 Lysylasparagine 261.156446 11219156 Lysylmethionine 278.1547173 7016114 Methionine 150.058251 6137 Methyldecanoylcarnitine (C10:0 M) 271.1876381 156960955 Methylheptanoylcarnitine 229.1413998 156961436 Methylhexanoylcarnitine 215.1256861 156961426 Methylnonanoylcarnitine (C9:0 M) 257.1744087 156960937 Methyloctanoylcarnitine (C10:0-M) 243.156199 156961452 Methylpentanoylcarnitine 201.1097804 156961420 Methylundecanoylcarnitine (C11:0 M) 285.2049244 156960979 N-Acetylglutamine 189.0884031 182230 N-Acetyl-Leu 174.1153153 70912 Nona-dienedioylcarnitine (C9:2-DC) 269.0988195 Nona-dienoylcarnitine (C9:2) 239.1247116 Nonanedioylcarnitine (C9:0-DC) 273.1298957 141723556 Non-enedioylcarnitine (C9:1-DC) 271.1147041 Non-enoylcarnitine (C9:1) 241.1407907 Norepinephrine 170.0801371 439260 Octadec-enedioylcarnitine (C18:1-DC) 397.2544787 Octa-dienoylcarnitine 225.1099322 129848663 octadienoylglycine 198.1120169 129822189 Octanedioylcarnitine (C8:0-DC) 259.1142359 92036974 Oct-enedioylcarnitine (C8:1-DC) 257.0986892 Octenoylcarnitine 227.1255447 129692230 octenoylglycine 200.1278928 129822193 Oxoproline 130.0495867 7405 Paraxanthine 181.0718671 4687 p-Cresol 109.0642927 2879 p-Cresol glucuronide 285.0954283 154035 Phenol 95.04874478 996 Phenylacetylglutamine 265.1199249 92258 Phenylalanine 166.0842022 6140 Phenylalanylglycine 223.1073684 6992304 Phenylalanylmethionine 297.1300429 7010506 Phenylalanylphenylalanine 313.1544359 65104 Phenylalanyltryptophan 352.1642456 134906 Phenylpyruvic acid 165.0543077 997 Pipecolic acid 130.0858802 849 Piperidine 86.09638738 8082 Proline 116.0706072 145742 Prolylglycine 173.0915182 6426709 Prolylphenylalanine 263.1358972 6351946 Prolylproline 213.1225843 263469 Prolyl-Tyrosine 279.1308625 152264 Propenoylcarnitine 216.128807 53481611 Pyridoxamine 169.0966519 1052 Ribose 151.0607104 10975657 Salicylic acid 139.0361434 338 Serotonin 177.1003571 5202 Serylalanine 177.0883252 7009579 Serylcysteine 209.0593469 18218239 Serylglycine 163.0731391 7009644 Styrene 105.0695425 7501 Succinylcarnitine (C4:0-DC) 262.1274983 131802075 Tetradeca-dienedioylcarnitine (C14:2-DC) 339.1765341 156963709 Tetradecadienoylcarnitine (C14:2) 309.2052303 129691756 Tetradeca-trienedioylcarnitine (C14:3-DC) 337.1663527 Tetradeca-trienoylcarnitine (C14:3) 307.1866654 Tetradec-enedioylcarnitine (C14:1-DC) 341.1921168 129631631 Tetradec-enoylcarnitine (C14:1) 311.2180734 129631631 Threonine 120.0651349 6288 Threonylalanine 191.1042818 7010578 Threonylasparagine 234.1103214 44232358 Threonylphenylalanine 267.1322115 7010580 Threonylproline 217.1183732 9834371 Threonylserine 207.0986518 7016065 Threonylthreonine 221.1145256 13371858 Thymine 127.0473866 1135 Tridecanoylcarnitine (C13:0) 299.2182864 3072472 Tridec-enedioylcarnitine (C13:1-DC) 327.1765276 Tryptophan 205.0976563 6305 Tryptophyl-Proline 302.1462356 14409732 Tyramine 138.0909008 5610 Tyrosine 182.0785171 6057 Undeca-dienoylcarnitine (C11:2) 267.1556489 Undeca-trienoylcarnitine (C11:3) 265.140345 Undec-enedioylcarnitine (C11:1-DC) 299.1454856 Undec-enoylcarnitine (C11:1) 269.1714138 129882753 Uric acid 169.0353547 1175 Valerylcarnitine (C5:0) 246.1692031 16226475 Valerylglycine 160.0969677 4737557 Valine 118.0859251 6287 Valylleucine 231.1699085 6993118 Xanthine 153.0399463 1188 METABOLITES_END #END