#METABOLOMICS WORKBENCH MartinPost_20210629_072450 DATATRACK_ID:2724 STUDY_ID:ST002055 ANALYSIS_ID:AN003346 PROJECT_ID:PR001300 VERSION 1 CREATED_ON January 8, 2022, 7:18 am #PROJECT PR:PROJECT_TITLE Metabolomic Profiling of Human Pluripotent Stem Cell Differentiation into Lung PR:PROJECT_TITLE Progenitors PR:PROJECT_TYPE Developmental metabolites and Biomarker discovery PR:PROJECT_SUMMARY Metabolism is vital to cellular function and tissue homeostasis during human PR:PROJECT_SUMMARY lung development. In utero, embryonic pluripotent stem cells undergo endodermal PR:PROJECT_SUMMARY differentiation towards a lung progenitor cell fate that can be mimicked in PR:PROJECT_SUMMARY vitro using induced human pluripotent stem cells (hiPSCs) to study genetic PR:PROJECT_SUMMARY mutations. To identify differences between wild type and surfactant protein B PR:PROJECT_SUMMARY (SFTPB)-deficient cell lines during endoderm specification towards lung, we used PR:PROJECT_SUMMARY an untargeted metabolomics approach to evaluate the developmental changes in PR:PROJECT_SUMMARY metabolites. We found that the metabolites most enriched during the PR:PROJECT_SUMMARY differentiation from pluripotent stem cell to lung progenitor cell, regardless PR:PROJECT_SUMMARY of cell line, were sphingomyelins and phosphatidylcholines, two important lipid PR:PROJECT_SUMMARY classes in fetal lung development. The SFTPB mutation had no metabolic impact on PR:PROJECT_SUMMARY early endodermal lung development. The identified metabolite signatures during PR:PROJECT_SUMMARY lung progenitor cell differentiation may be utilized as biomarkers for normal PR:PROJECT_SUMMARY embryonic lung development. PR:INSTITUTE The Hospital for Sick Children PR:LAST_NAME Post PR:FIRST_NAME Martin PR:ADDRESS 555 University Avenue PR:EMAIL martin.post@sickkids.ca PR:PHONE 4168136772 #STUDY ST:STUDY_TITLE Metabolomic Profiling of Human Pluripotent Stem Cell Differentiation into Lung ST:STUDY_TITLE Progenitors ST:STUDY_SUMMARY Metabolism is vital to cellular function and tissue homeostasis during human ST:STUDY_SUMMARY lung development. In utero, embryonic pluripotent stem cells undergo endodermal ST:STUDY_SUMMARY differentiation towards a lung progenitor cell fate that can be mimicked in ST:STUDY_SUMMARY vitro using induced human pluripotent stem cells (hiPSCs) to study genetic ST:STUDY_SUMMARY mutations. To identify differences between wild type and surfactant protein B ST:STUDY_SUMMARY (SFTPB)-deficient cell lines during endoderm specification towards lung, we used ST:STUDY_SUMMARY an untargeted metabolomics approach to evaluate the developmental changes in ST:STUDY_SUMMARY metabolites. We found that the metabolites most enriched during the ST:STUDY_SUMMARY differentiation from pluripotent stem cell to lung progenitor cell, regardless ST:STUDY_SUMMARY of cell line, were sphingomyelins and phosphatidylcholines, two important lipid ST:STUDY_SUMMARY classes in fetal lung development. The SFTPB mutation had no metabolic impact on ST:STUDY_SUMMARY early endodermal lung development. The identified metabolite signatures during ST:STUDY_SUMMARY lung progenitor cell differentiation may be utilized as biomarkers for normal ST:STUDY_SUMMARY embryonic lung development. ST:INSTITUTE The Hospital for Sick Children ST:LAST_NAME Post ST:FIRST_NAME Martin ST:ADDRESS 555 University Avenue ST:EMAIL martin.post@sickkids.ca ST:PHONE 4168136772 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - 1 - CA1 1 Differentiation stage:PSC RAW_FILE_NAME=KIT2-0-5504_1007639557_74_0_1_1_00_1007638751; RAW_FILE_NAME=KIT3-0-5504_1007639557_74_0_1_1_00_1007638751 SUBJECT_SAMPLE_FACTORS - 2 - CA1 2 Differentiation stage:PSC RAW_FILE_NAME=KIT2-0-5504_1007639557_86_0_1_1_00_1007638766; RAW_FILE_NAME=KIT3-0-5504_1007639557_86_0_1_1_00_1007638766 SUBJECT_SAMPLE_FACTORS - 3 - CA1 3 Differentiation stage:PSC RAW_FILE_NAME=KIT2-0-5504_1007639557_03_0_1_1_00_1007638771; RAW_FILE_NAME=KIT3-0-5504_1007639557_03_0_1_1_00_1007638771 SUBJECT_SAMPLE_FACTORS - 4 - CA1 4 Differentiation stage:PSC RAW_FILE_NAME=KIT2-0-5504_1007639557_15_0_1_1_00_1007638785; RAW_FILE_NAME=KIT3-0-5504_1007639557_15_0_1_1_00_1007638785 SUBJECT_SAMPLE_FACTORS - 5 - CA1 5 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_27_0_1_1_00_1007638790; RAW_FILE_NAME=KIT3-0-5504_1007639557_27_0_1_1_00_1007638790 SUBJECT_SAMPLE_FACTORS - 6 - CA1 6 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_39_0_1_1_00_1007638801; RAW_FILE_NAME=KIT3-0-5504_1007639557_39_0_1_1_00_1007638801 SUBJECT_SAMPLE_FACTORS - 7 - CA1 7 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_51_0_1_1_00_1007638815; RAW_FILE_NAME=KIT3-0-5504_1007639557_51_0_1_1_00_1007638815 SUBJECT_SAMPLE_FACTORS - 8 - CA1 8 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_63_0_1_1_00_1007638820; RAW_FILE_NAME=KIT3-0-5504_1007639557_63_0_1_1_00_1007638820 SUBJECT_SAMPLE_FACTORS - 9 - CA1 9 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_75_0_1_1_00_1007638834; RAW_FILE_NAME=KIT3-0-5504_1007639557_75_0_1_1_00_1007638834 SUBJECT_SAMPLE_FACTORS - 10 - CA1 10 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_87_0_1_1_00_1007638849; RAW_FILE_NAME=KIT3-0-5504_1007639557_87_0_1_1_00_1007638849 SUBJECT_SAMPLE_FACTORS - 11 - CA1 11 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_04_0_1_1_00_1007638853; RAW_FILE_NAME=KIT3-0-5504_1007639557_04_0_1_1_00_1007638853 SUBJECT_SAMPLE_FACTORS - 12 - CA1 12 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_16_0_1_1_00_1007638868; RAW_FILE_NAME=KIT3-0-5504_1007639557_16_0_1_1_00_1007638868 SUBJECT_SAMPLE_FACTORS - 13 - CA1 13 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_28_0_1_1_00_1007638872; RAW_FILE_NAME=KIT3-0-5504_1007639557_28_0_1_1_00_1007638872 SUBJECT_SAMPLE_FACTORS - 14 - CA1 14 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_40_0_1_1_00_1007638887; RAW_FILE_NAME=KIT3-0-5504_1007639557_40_0_1_1_00_1007638887 SUBJECT_SAMPLE_FACTORS - 15 - CA1 15 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_52_0_1_1_00_1007638891; RAW_FILE_NAME=KIT3-0-5504_1007639557_52_0_1_1_00_1007638891 SUBJECT_SAMPLE_FACTORS - 16 - CA1 16 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_64_0_1_1_00_1007638902; RAW_FILE_NAME=KIT3-0-5504_1007639557_64_0_1_1_00_1007638902 SUBJECT_SAMPLE_FACTORS - 17 - NCRM1 1 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_76_0_1_1_00_1007638917; RAW_FILE_NAME=KIT3-0-5504_1007639557_76_0_1_1_00_1007638917 SUBJECT_SAMPLE_FACTORS - 18 - NCRM1 2 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_88_0_1_1_00_1007638921; RAW_FILE_NAME=KIT3-0-5504_1007639557_88_0_1_1_00_1007638921 SUBJECT_SAMPLE_FACTORS - 19 - NCRM1 3 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_05_0_1_1_00_1007638936; RAW_FILE_NAME=KIT3-0-5504_1007639557_05_0_1_1_00_1007638936 SUBJECT_SAMPLE_FACTORS - 20 - NCRM1 4 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_17_0_1_1_00_1007638941; RAW_FILE_NAME=KIT3-0-5504_1007639557_17_0_1_1_00_1007638941 SUBJECT_SAMPLE_FACTORS - 21 - NCRM1 5 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_29_0_1_1_00_1007638955; RAW_FILE_NAME=KIT3-0-5504_1007639557_29_0_1_1_00_1007638955 SUBJECT_SAMPLE_FACTORS - 22 - NCRM1 6 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_41_0_1_1_00_1007638960; RAW_FILE_NAME=KIT3-0-5504_1007639557_41_0_1_1_00_1007638960 SUBJECT_SAMPLE_FACTORS - 23 - NCRM1 7 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_53_0_1_1_00_1007638974; RAW_FILE_NAME=KIT3-0-5504_1007639557_53_0_1_1_00_1007638974 SUBJECT_SAMPLE_FACTORS - 24 - NCRM1 8 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_65_0_1_1_00_1007638989; RAW_FILE_NAME=KIT3-0-5504_1007639557_65_0_1_1_00_1007638989 SUBJECT_SAMPLE_FACTORS - 25 - NCRM1 9 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_77_0_1_1_00_1007638993; RAW_FILE_NAME=KIT3-0-5504_1007639557_77_0_1_1_00_1007638993 SUBJECT_SAMPLE_FACTORS - 26 - NCRM1 10 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_89_0_1_1_00_1007639005; RAW_FILE_NAME=KIT3-0-5504_1007639557_89_0_1_1_00_1007639005 SUBJECT_SAMPLE_FACTORS - 27 - NCRM1 11 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_06_0_1_1_00_1007639010; RAW_FILE_NAME=KIT3-0-5504_1007639557_06_0_1_1_00_1007639010 SUBJECT_SAMPLE_FACTORS - 28 - NCRM1 12 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_18_0_1_1_00_1007639024; RAW_FILE_NAME=KIT3-0-5504_1007639557_18_0_1_1_00_1007639024 SUBJECT_SAMPLE_FACTORS - 29 - NCRM1 13 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_30_0_1_1_00_1007639039; RAW_FILE_NAME=KIT3-0-5504_1007639557_30_0_1_1_00_1007639039 SUBJECT_SAMPLE_FACTORS - 30 - NCRM1 14 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_42_0_1_1_00_1007639043; RAW_FILE_NAME=KIT3-0-5504_1007639557_42_0_1_1_00_1007639043 SUBJECT_SAMPLE_FACTORS - 31 - NCRM1 15 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_54_0_1_1_00_1007639058; RAW_FILE_NAME=KIT3-0-5504_1007639557_54_0_1_1_00_1007639058 SUBJECT_SAMPLE_FACTORS - 32 - NCRM1 16 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_66_0_1_1_00_1007639062; RAW_FILE_NAME=KIT3-0-5504_1007639557_66_0_1_1_00_1007639062 SUBJECT_SAMPLE_FACTORS - 33 - ICD 1 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_78_0_1_1_00_1007639077; RAW_FILE_NAME=KIT3-0-5504_1007639557_78_0_1_1_00_1007639077 SUBJECT_SAMPLE_FACTORS - 34 - ICD 2 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_90_0_1_1_00_1007639081; RAW_FILE_NAME=KIT3-0-5504_1007639557_90_0_1_1_00_1007639081 SUBJECT_SAMPLE_FACTORS - 35 - ICD 3 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_07_0_1_1_00_1007639096; RAW_FILE_NAME=KIT3-0-5504_1007639557_07_0_1_1_00_1007639096 SUBJECT_SAMPLE_FACTORS - 36 - ICD 4 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_19_0_1_1_00_1007639107; RAW_FILE_NAME=KIT3-0-5504_1007639557_19_0_1_1_00_1007639107 SUBJECT_SAMPLE_FACTORS - 37 - ICD 5 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_31_0_1_1_00_1007639111; RAW_FILE_NAME=KIT3-0-5504_1007639557_31_0_1_1_00_1007639111 SUBJECT_SAMPLE_FACTORS - 38 - ICD 6 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_55_0_1_1_00_1007639126; RAW_FILE_NAME=KIT3-0-5504_1007639557_55_0_1_1_00_1007639126 SUBJECT_SAMPLE_FACTORS - 39 - ICD 7 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_67_0_1_1_00_1007639131; RAW_FILE_NAME=KIT3-0-5504_1007639557_67_0_1_1_00_1007639131 SUBJECT_SAMPLE_FACTORS - 40 - ICD 8 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_79_0_1_1_00_1007639145; RAW_FILE_NAME=KIT3-0-5504_1007639557_79_0_1_1_00_1007639145 SUBJECT_SAMPLE_FACTORS - 41 - ICD 9 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_91_0_1_1_00_1007639150; RAW_FILE_NAME=KIT3-0-5504_1007639557_91_0_1_1_00_1007639150 SUBJECT_SAMPLE_FACTORS - 42 - ICD 10 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_08_0_1_1_00_1007639164; RAW_FILE_NAME=KIT3-0-5504_1007639557_08_0_1_1_00_1007639164 SUBJECT_SAMPLE_FACTORS - 43 - ICD 11 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_20_0_1_1_00_1007639179; RAW_FILE_NAME=KIT3-0-5504_1007639557_20_0_1_1_00_1007639179 SUBJECT_SAMPLE_FACTORS - 44 - ICD 12 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_32_0_1_1_00_1007639183; RAW_FILE_NAME=KIT3-0-5504_1007639557_32_0_1_1_00_1007639183 SUBJECT_SAMPLE_FACTORS - 45 - ICD 13 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_44_0_1_1_00_1007639198; RAW_FILE_NAME=KIT3-0-5504_1007639557_44_0_1_1_00_1007639198 SUBJECT_SAMPLE_FACTORS - 46 - ICD 14 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_56_0_1_1_00_1007639209; RAW_FILE_NAME=KIT3-0-5504_1007639557_56_0_1_1_00_1007639209 SUBJECT_SAMPLE_FACTORS - 47 - ICD 15 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_68_0_1_1_00_1007639213; RAW_FILE_NAME=KIT3-0-5504_1007639557_68_0_1_1_00_1007639213 SUBJECT_SAMPLE_FACTORS - 48 - ICD 16 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_80_0_1_1_00_1007639228; RAW_FILE_NAME=KIT3-0-5504_1007639557_80_0_1_1_00_1007639228 SUBJECT_SAMPLE_FACTORS - 49 - ICE 1 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_92_0_1_1_00_1007639232; RAW_FILE_NAME=KIT3-0-5504_1007639557_92_0_1_1_00_1007639232 SUBJECT_SAMPLE_FACTORS - 50 - ICE 2 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_09_0_1_1_00_1007639247; RAW_FILE_NAME=KIT3-0-5504_1007639557_09_0_1_1_00_1007639247 SUBJECT_SAMPLE_FACTORS - 51 - ICE 3 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_21_0_1_1_00_1007639251; RAW_FILE_NAME=KIT3-0-5504_1007639557_21_0_1_1_00_1007639251 SUBJECT_SAMPLE_FACTORS - 52 - ICE 4 Differentiation stage:iPSC RAW_FILE_NAME=KIT2-0-5504_1007639557_33_0_1_1_00_1007639266; RAW_FILE_NAME=KIT3-0-5504_1007639557_33_0_1_1_00_1007639266 SUBJECT_SAMPLE_FACTORS - 53 - ICE 5 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_45_0_1_1_00_1007639271; RAW_FILE_NAME=KIT3-0-5504_1007639557_45_0_1_1_00_1007639271 SUBJECT_SAMPLE_FACTORS - 54 - ICE 6 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_57_0_1_1_00_1007639285; RAW_FILE_NAME=KIT3-0-5504_1007639557_57_0_1_1_00_1007639285 SUBJECT_SAMPLE_FACTORS - 55 - ICE 7 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_69_0_1_1_00_1007639290; RAW_FILE_NAME=KIT3-0-5504_1007639557_69_0_1_1_00_1007639290 SUBJECT_SAMPLE_FACTORS - 56 - ICE 8 Differentiation stage:Definitive Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_81_0_1_1_00_1007639301; RAW_FILE_NAME=KIT3-0-5504_1007639557_81_0_1_1_00_1007639301 SUBJECT_SAMPLE_FACTORS - 57 - ICE 9 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_93_0_1_1_00_1007639315; RAW_FILE_NAME=KIT3-0-5504_1007639557_93_0_1_1_00_1007639315 SUBJECT_SAMPLE_FACTORS - 58 - ICE 10 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_10_0_1_1_00_1007639320; RAW_FILE_NAME=KIT3-0-5504_1007639557_10_0_1_1_00_1007639320 SUBJECT_SAMPLE_FACTORS - 59 - ICE 11 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_22_0_1_1_00_1007639334; RAW_FILE_NAME=KIT3-0-5504_1007639557_22_0_1_1_00_1007639334 SUBJECT_SAMPLE_FACTORS - 60 - ICE 12 Differentiation stage:Anterior Foregut Endoderm RAW_FILE_NAME=KIT2-0-5504_1007639557_34_0_1_1_00_1007639349; RAW_FILE_NAME=KIT3-0-5504_1007639557_34_0_1_1_00_1007639349 SUBJECT_SAMPLE_FACTORS - 61 - ICE 13 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_46_0_1_1_00_1007639353; RAW_FILE_NAME=KIT3-0-5504_1007639557_46_0_1_1_00_1007639353 SUBJECT_SAMPLE_FACTORS - 62 - ICE 14 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_58_0_1_1_00_1007639368; RAW_FILE_NAME=KIT3-0-5504_1007639557_58_0_1_1_00_1007639368 SUBJECT_SAMPLE_FACTORS - 63 - ICE 15 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_70_0_1_1_00_1007639372; RAW_FILE_NAME=KIT3-0-5504_1007639557_70_0_1_1_00_1007639372 SUBJECT_SAMPLE_FACTORS - 64 - ICE 16 Differentiation stage:Lung Progenitor Cell RAW_FILE_NAME=KIT2-0-5504_1007639557_82_0_1_1_00_1007639387; RAW_FILE_NAME=KIT3-0-5504_1007639557_82_0_1_1_00_1007639387 #COLLECTION CO:COLLECTION_SUMMARY Samples were analyzed for 180 metabolites using the AbsoluteIDQ® p180 kit from CO:COLLECTION_SUMMARY Biocrates Life Sciences AG at the Analytical Facility for Bioactive Molecules CO:COLLECTION_SUMMARY (The Hospital for Sick Children, Toronto, Canada). Collected cell pellets were CO:COLLECTION_SUMMARY resuspended in 15 % ice-cold 10 mM Phosphate Buffer (PB) + 85 % EtOH as per CO:COLLECTION_SUMMARY AbsoluteIDQ® p180 kit protocol. Resuspended cells were subjected to three CO:COLLECTION_SUMMARY rounds of sonication and rapid freeze thawing. Final suspension was then CO:COLLECTION_SUMMARY centrifuged at 20,000 x g for 10 minutes at 4°C. A small aliquot was taken for CO:COLLECTION_SUMMARY protein assay, and the remainder of the supernatant was used for metabolic CO:COLLECTION_SUMMARY analysis. Samples, standards, and controls (10 mL each) were added to the CO:COLLECTION_SUMMARY Biocrates 96-well filter plate with internal standard, dried under nitrogen, CO:COLLECTION_SUMMARY derivatized with phenyl isothiocyanate, and then extracted with methanol, as per CO:COLLECTION_SUMMARY kit instructions. CO:SAMPLE_TYPE human cells #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY At each differentiation step, DE, AFE and LPC, cells were analyzed by FACS for SP:SAMPLEPREP_SUMMARY stage specific markers. The differentiated cells were harvested with TrypLE at SP:SAMPLEPREP_SUMMARY 37 °C for 5-10 minutes and collected by centrifugation at 300 g for 5 minutes SP:SAMPLEPREP_SUMMARY at room temperature. The cell pellets were resuspended in 3% (v/v) FBS in PBS, SP:SAMPLEPREP_SUMMARY cell aggregates were removed using a cell strainer with a 40-µm pore size and SP:SAMPLEPREP_SUMMARY single cells were collected. For surface antigens, the cells were incubated with SP:SAMPLEPREP_SUMMARY primary antibodies for 30 minutes on ice with gentle shaking, washed twice SP:SAMPLEPREP_SUMMARY with 3% (v/v) FBS in PBS, and if necessary, incubated with the secondary SP:SAMPLEPREP_SUMMARY antibodies for 30 minutes followed by two more rinses with 3% (v/v) FBS in SP:SAMPLEPREP_SUMMARY PBS. For DE cells, we used PE conjugated mouse anti-human CXCR4 and APC SP:SAMPLEPREP_SUMMARY conjugated mouse anti-human cKit antibodies; AFE cells were stained with SP:SAMPLEPREP_SUMMARY PE-conjugated mouse anti-human CD56 and APC conjugated mouse anti-human CD271 SP:SAMPLEPREP_SUMMARY antibodies and LPCs we identified using mouse anti-human CPM antibody. Alexa SP:SAMPLEPREP_SUMMARY Fluor 488 donkey anti-mouse IgG was used as the secondary antibody against SP:SAMPLEPREP_SUMMARY primary CPM antibody. The cells were either sorted using the BD aria FACS sorter SP:SAMPLEPREP_SUMMARY at the Sick Kids FACS core and/or analyzed using a Beckman Coulter Gallios flow SP:SAMPLEPREP_SUMMARY cytometer. Unstained controls were used to set up gates for FSC and SSC and SP:SAMPLEPREP_SUMMARY double stained cells underwent fluorescence minus one (FMO) to ensure accurate SP:SAMPLEPREP_SUMMARY gating. Sorted cells were collected and the spun down into a cell pellet and SP:SAMPLEPREP_SUMMARY stored in -80C degrees for further processing. The endodermal differentiations SP:SAMPLEPREP_SUMMARY and cell sorts were repeated at four different times with two biological SP:SAMPLEPREP_SUMMARY repeats. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent Eclipse XDB-C18 (100 x 3.0mm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Analyst1.7 (Sciex); MetIDQ (Biocrates) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples 1 - CA1 1 2 - CA1 2 3 - CA1 3 4 - CA1 4 5 - CA1 5 6 - CA1 6 7 - CA1 7 8 - CA1 8 9 - CA1 9 10 - CA1 10 11 - CA1 11 12 - CA1 12 13 - CA1 13 14 - CA1 14 15 - CA1 15 16 - CA1 16 17 - NCRM1 1 18 - NCRM1 2 19 - NCRM1 3 20 - NCRM1 4 21 - NCRM1 5 22 - NCRM1 6 23 - NCRM1 7 24 - NCRM1 8 25 - NCRM1 9 26 - NCRM1 10 27 - NCRM1 11 28 - NCRM1 12 29 - NCRM1 13 30 - NCRM1 14 31 - NCRM1 15 32 - NCRM1 16 33 - ICD 1 34 - ICD 2 35 - ICD 3 36 - ICD 4 37 - ICD 5 38 - ICD 6 39 - ICD 7 40 - ICD 8 41 - ICD 9 42 - ICD 10 43 - ICD 11 44 - ICD 12 45 - ICD 13 46 - ICD 14 47 - ICD 15 48 - ICD 16 49 - ICE 1 50 - ICE 2 51 - ICE 3 52 - ICE 4 53 - ICE 5 54 - ICE 6 55 - ICE 7 56 - ICE 8 57 - ICE 9 58 - ICE 10 59 - ICE 11 60 - ICE 12 61 - ICE 13 62 - ICE 14 63 - ICE 15 64 - ICE 16 Factors Differentiation stage:PSC Differentiation stage:PSC Differentiation stage:PSC Differentiation stage:PSC Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:iPSC Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Definitive Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Anterior Foregut Endoderm Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Differentiation stage:Lung Progenitor Cell Ac-Orn 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.142 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADMA 2.33 0 0 0.012 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.234 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 alpha-AAA 9.1 0 0 1.33 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.585 0 0.765 0 0 0 0 0 0 0.36 0 0 0 0 0 c4-OH-Pro 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Carnosine 3.1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Creatinine 0.57 1.04 1.08 0.469 1.23 0.68 1.03 2.1 1.46 0.855 1.07 0.745 1.91 0.88 1.23 1.08 0.785 1.21 1.02 1.68 1.17 1.7 1.89 0.7 0.865 1.53 0.635 0.79 0.855 0.765 0.85 0.83 1.06 1.22 1.31 0.94 1.53 1.14 0.94 1.3 1.49 1.75 1.28 0.458 1.19 1.92 1.48 1.11 0.99 0.76 0.905 0.655 1.64 0.665 1.08 1.25 0.945 1.71 1.16 2.46 1.5 1.34 0.825 2.63 DOPA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dopamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Histamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.114 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Kynurenine 11.9 0.343 0.151 3.42 0.035 0.102 0.068 0.098 0.022 0.041 0.106 0.059 0.061 0.074 0.043 0.089 0.217 0.026 0.108 0.079 0.075 0.054 0.078 0.053 0.11 0.081 0.054 0.027 0.064 0.062 0.1 0.107 0.071 0.081 0.038 0.185 0.01 0.053 0.058 0.111 0.161 0.021 0.093 0.049 0.116 0.123 0.03 0.051 0.065 0.072 0.036 0.071 0.055 0.039 0.046 0.072 0.035 0.067 0.083 0.078 0.061 0.032 0.113 0.058 Met-SO 1.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nitro-Tyr 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PEA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Putrescine 0.14 0.043 0 0 0 0.341 0 0 0.178 0.078 0 0.535 0 0 0 0.199 0.102 0 0 0.061 0.072 0 0 0 0.395 0.059 0 0.086 1.04 0.311 0 2.82 0.077 0.175 0 0.795 0.136 0.076 0 0 0.165 0 0.262 0.085 0 0 0 0 0.161 0 0.116 0.38 0 0 0 0.079 0.19 0.635 0.344 0.328 0.121 0.283 2.62 0.164 SDMA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Serotonin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Spermidine 0.482 0.092 0.091 0.154 0.115 1.1 0.113 0.12 0.087 0.09 0.137 0.121 0.093 0.108 0 0.124 0.14 0 0 0 0.131 0 0.176 0 0 0.136 0.131 0 0.149 0 0.403 0.174 0 0.104 0 0.321 0.139 0.137 0 0.152 0 0 0 0 0 0 0 0 0 0.207 0.209 0.267 0.11 0 0 0 0 0.13 0 0 0 0 0 0 Spermine 0.63 0.138 0.156 0.209 0.152 0.473 0.13 0.124 0.125 0.13 0.126 0.138 0.13 0.138 0 0 0.148 0 0.126 0.126 0.137 0.125 0.143 0.124 0 0.136 0 0 0.13 0 0 0.127 0 0 0 0 0 0.131 0 0.132 0 0 0 0 0 0 0 0 0 0.167 0.157 0.135 0 0 0.135 0.133 0 0 0 0 0 0 0 0 t4-OH-Pro 0.945 0.226 0 0.605 0 1.61 0 0 0 0 0.297 0 0.236 0 0.52 0 0 0.258 0 0 0.458 0.243 0.254 0 0 0.34 0 0 0.246 0 0.238 0 0.227 0.51 0.299 0.875 0 0.535 0 0 0 0 0 0.237 0 0.31 0 0 0.324 0.79 0.411 0 0 0 0 0 0 0 0 0.269 0 0 0 0 Taurine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.02 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.41 0 total DMA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ala 291 1.19 1.44 51.5 0 7.85 0 0 0 1.41 6.25 0 0.1 0 0 0 2.42 0 0 0 0 0 0 0 13.4 0.55 0 0 0.785 0 22 3.99 0 1.14 0 7.75 0 0 0 0 0 0 0.225 0 1.64 0 0 0 0.361 7.25 0.234 3.94 0 0 0 0 0 0.79 0 0 0 0 2.16 0 Arg 81 2.69 2.71 29.5 3 4.45 1.49 1.36 1.26 1.2 2.98 2.04 1.35 0 2.19 1.47 2.64 1.35 3.38 1.44 1.63 1.83 1.32 1.52 1.75 1.66 2.11 1.8 2.06 1.93 3.74 8.45 1.82 2.07 1.23 3.99 1.46 1.86 1.19 1.23 1.51 1.33 1.78 1.39 1.21 1.57 1.75 1.25 1.73 1.97 1.36 3.31 1.36 1.45 1.35 2.17 1.37 2.75 3.1 1.72 1.51 1.84 2.28 1.7 Asn 34.9 1.28 1.9 13.4 1.19 3.77 0 1.48 1.49 0 2.66 0.94 0.955 1.34 0 0 2.23 1.78 2.25 0.975 0 0.965 1.02 1.72 1.32 0 1.27 1.91 1.38 1.05 0 2 0 2.6 1.05 3.3 0.925 0 0 1.27 1.04 1.32 0 1.41 0 0 0 1.1 0 0 1.29 1.91 0.99 0 0 0 0 1.62 0 0.925 0 1.42 1.29 0 Asp 93.5 1.3 0 18.8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.14 0 0 0 0 0 0 0 0 0 5.15 0 1.6 0 0 0 0 0 0 0 0 0 0 0 0 0 4.29 0 0 0 0 0 0 0 0 0 0 0 0 Cit 0.64 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.153 0.71 4.47 4.52 0 2.24 0 6.95 0 0 0 0 0 0 0.035 0.033 0 0 0 0 0.825 7.85 4.02 6.95 0 0 0 0 0 1.43 0.429 0 0 0 5.3 0 Gln 255 20.1 13.6 173 2.7 4.24 0 1.87 2.16 0 23.4 2.99 3.85 0 19.1 0 9.35 2.92 35.4 3.21 4.78 3.1 1.73 2.23 9.25 3.37 4.3 3.91 3.33 4.65 100 18 4.58 7.35 0 66.5 1.88 4.75 3.04 1.82 2.54 1.67 3.98 4.54 1.61 5.85 4.48 1.7 3.78 15.2 2.6 21.5 1.99 3.13 2.29 20 1.99 10.1 4.01 4.2 5.1 7.95 13.6 2.14 Glu 358 5.6 4.13 130 0 42 0 0 0 0 15.4 0 1.77 0 1.17 2.98 24.3 2.01 2.2 1.84 5.9 2.22 2.67 1.45 2.58 5 0 2.55 5.45 1.8 43.3 14.9 1.55 20.5 2.12 62 2.66 2.99 0 2.52 3.73 0 3.51 1.87 0 1.75 4.19 0 10.9 37.3 11.2 36.1 0 0 1.12 0 0 6.35 1.98 2.12 1.19 2.33 22.3 0 Gly 157 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 46 0 0 0 0 0 0 0 0 0 0 0 0 0 0 His 66.5 0 0.64 7.85 0 0 0 0 0 0 0 0 0 0 0.352 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.95 0 0 0 9.85 0 0.287 0 0 0 0 0 0 0 0.247 0 0 0.51 1.04 0 2.99 0 0 0 0 0 0.313 0 0 0 0 0.009 0 Ile 72 1.31 1.26 16.8 0.62 1.52 0.143 0 0 0 1.14 0.418 0.56 0 12.1 0.255 0.795 0.099 2.15 0.257 1.21 0.227 0.316 0.48 1.47 0.585 0.283 0.321 0.605 0.695 6.05 7.05 0.865 1.73 0.05 10.5 0 13.4 0.139 0.171 0 0 0.74 0.289 0 4.56 0.94 0.122 1.21 7.85 0.65 7.1 0 0.293 0 0.805 0 1.39 0.457 0.417 0.62 0.97 2.24 0.088 Leu 126 1.49 0 21.4 0 3.62 0 0 0 0 4.52 0 0 0 2.75 0 2.33 1.55 2.52 0 2.98 0 0 0 1.77 0 0 0 2.06 1.33 13.6 9.15 0 4.99 0 10.9 0 2.04 0 0 0 0 0 0 1.41 0 2.23 0 2.55 12.3 0 5.2 0 0 0 1.84 0 2.79 0 0 1.2 1.48 4.04 0 Lys 83 3.66 3.35 14.5 2.5 3.03 2.15 2.09 2.09 0 2.45 2.16 2.28 2.07 2.68 2.08 3.1 2.25 3.28 2.12 2.43 2.14 2.07 2.14 2.62 2.36 2.22 2.42 2.2 2.35 3.8 4.09 2.23 2.84 2.09 5.3 2.15 2.51 2.09 2.1 2.05 2.03 2.32 2.2 2.03 2.12 2.3 0 2.95 4.33 2.25 4.79 2.12 2.08 2.1 2.42 2.06 2.63 2.1 2.07 2.15 2.35 2.69 2.06 Met 45.9 0.82 0.915 8.75 0.66 1.32 0.615 0.63 0.61 0 1.15 0.685 0.7 0 1.11 0.67 0.99 0.685 0.915 0.66 0.845 0.67 0.63 0 1.02 0.925 0.695 0.79 0.89 0.775 1.48 2.75 0.655 1.2 0.615 3.02 0 0.835 0.61 0 0.655 0 0.915 0.685 0 0.75 0.75 0 1.12 3.47 0.775 2.29 0 0.625 0.64 0 0 0.955 0.665 0.645 0.715 0.9 1.47 0 Orn 17.6 0 0.002 3.08 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 0.333 0 0 0 0.63 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.08 0 Phe 45.9 1.19 1.07 11.7 0.565 2 0.446 0.474 0.473 0.434 1.42 0.605 0.685 0.435 7.15 0.64 1.15 0.595 1.41 0.496 0.92 0.64 0.575 0.51 1.24 0.805 0.56 0.65 1.1 0.785 4.96 5.6 0.735 1.57 0.47 5.9 0.486 4.29 0.515 0.482 0.481 0.42 0.895 0.69 0.432 2.42 0.835 0.453 1.5 4.35 0.66 2.94 0.451 0.52 0.535 0.83 0.46 1.12 0.54 0.53 0.635 1.1 1.9 0.461 Pro 175 2.53 2.14 56 1.19 4.94 1.32 1.14 1.2 1.1 3.75 1.15 1.25 1.06 16.3 1.39 5.65 1.49 2.01 1.27 1.82 1.27 1.23 1.32 1.7 1.99 1.35 1.38 2.95 1.41 14.5 4.94 1.59 6.35 1.38 47.3 1.38 10.3 1.21 1.19 1.24 1.1 1.45 1.23 1.13 7.6 2.13 1.23 4.93 26.8 3.66 16 1.14 1.26 1.29 1.41 1.27 1.89 1.14 1.48 1.29 1.82 3.37 1.15 Ser 239 5.85 12.2 62 0 1.57 0 0 0 0 4.77 0 1.12 0 5.45 0.015 5.65 0.337 1.75 0.825 6.7 1.53 0 0 3.62 1.7 0 0 4.25 1.05 16.6 8.55 1.36 8 0.471 67 1.55 7.85 0 0.56 0 0 0 2.02 0 5.3 2.77 1.26 8.1 11.5 2.04 8 0 2.4 0.79 1.23 0.484 1.74 2.41 1.23 0.285 0.285 4.13 0.52 Thr 98 1.84 2.59 27.1 0.995 3.39 0.479 0.63 0.61 0.498 2.08 0.94 1.16 0.496 8.3 0.82 2.05 0.7 2.77 0.645 1.53 0.755 1 0.745 2.04 1.5 1.14 1.09 1.29 0.75 12.4 10.2 0.99 5.3 0.76 51 0.575 8 0.785 0 0.525 0 2.04 1.36 0.419 3 0.88 0.575 4.8 19.2 1.13 8.25 0.725 0.52 0.96 0.81 0.515 2.37 0.71 0.715 0.82 2.04 9.05 0.545 Trp 0.498 0.263 0.348 0.31 0.261 0.75 0.255 0.262 0.236 0.233 0.555 0.261 0.303 0.234 1.29 0.267 0.235 0.25 0.464 0.263 0.403 0.28 0.268 0.259 0.425 0.328 0.268 0.287 0.303 0.317 1.28 1.03 0.272 0.56 0.257 1.74 0.24 1.4 0.262 0 0.249 0.231 0.319 0.27 0.236 0.745 0.331 0.257 0.412 1.97 0.309 1.18 0 0.241 0.244 0.299 0.231 0.389 0.258 0.251 0.278 0.332 0.62 0.231 Tyr 49.9 1.79 0.905 7.95 0.466 1.52 0.371 0.258 0.242 0.328 1.92 0.402 0.545 0.336 0.975 0.265 1.35 0.388 1.62 0.431 1.03 0.347 0.466 0.381 1.26 0.795 0.352 0.565 1.52 1.01 7 7.4 0.64 1.6 0.231 7.75 0.3 0.825 0.361 0.297 1.03 0.177 0.73 0.46 0.335 0.72 0.665 0.369 0.75 3.97 0.6 3.26 0.342 0.156 0.605 0.8 0.344 0.785 0.394 0.479 0.545 0.585 2.95 0.395 Val 102 0.349 0.265 19.7 0 1.22 0 0 0 0 1.09 0.02 0 0 9.05 0 1.59 0 2.92 0 1.18 0 0 0 0.87 0 0 0.238 1.09 0.555 7.9 6.2 0 0.54 0 6.65 0 8.3 0 0 0 0 0 0 0 2.12 0 0 0.397 3.17 0 2.96 0 0 0 0.275 0 0.267 0 0.001 0 0.364 1.97 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Ac-Orn ADMA alpha-AAA c4-OH-Pro Carnosine Creatinine DOPA Dopamine Histamine Kynurenine Met-SO Nitro-Tyr PEA Putrescine SDMA Serotonin Spermidine Spermine t4-OH-Pro Taurine total DMA Ala Arg Asn Asp Cit Gln Glu Gly His Ile Leu Lys Met Orn Phe Pro Ser Thr Trp Tyr Val METABOLITES_END #END