#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