#METABOLOMICS WORKBENCH kuppal2_20190611_080421 DATATRACK_ID:1736 STUDY_ID:ST001193 ANALYSIS_ID:AN001988 PROJECT_ID:PR000805 VERSION 1 CREATED_ON 06-05-2024 #PROJECT PR:PROJECT_TITLE MARBLES (Markers of Autism Risk in Babies: Learning Early Sign) Enriched Cohort PR:PROJECT_TITLE Study: Internal Metabolomic Biomarker Exposome and Development Disorders PR:PROJECT_TITLE (IMBEDD) PR:PROJECT_TYPE NIH/NIEHS 1U2CES026560-01 PR:PROJECT_SUMMARY This project aims to identify internal biomarkers of drug, food and microbial PR:PROJECT_SUMMARY exposures associated to Autism Spectrum Disorder (ASD) and neurodevelopmental PR:PROJECT_SUMMARY outcomes in an enriched-risk cohort. Using targeted and untargeted internal PR:PROJECT_SUMMARY exposome approaches to identify exposures in maternal blood and child cord PR:PROJECT_SUMMARY blood, internal metabolomics biomarkers will be associated with related PR:PROJECT_SUMMARY exposures and also associated with ASD. PR:INSTITUTE Emory University PR:DEPARTMENT School of Medicine PR:LABORATORY Clinical Biomarkers Laboratory PR:LAST_NAME Tran PR:FIRST_NAME ViLinh PR:ADDRESS NA PR:EMAIL vtran6@emory.edu PR:PHONE (404) 727 5027 PR:FUNDING_SOURCE NIEHS ES026560 PR:DOI http://dx.doi.org/10.21228/M8MX2J #STUDY ST:STUDY_TITLE MARBLES (Markers of Autism Risk in Babies: Learning Early Sign) Enriched Cohort ST:STUDY_TITLE Study: Internal Metabolomic Biomarker Exposome and Development Disorders ST:STUDY_TITLE (IMBEDD) ST:STUDY_SUMMARY This project aims to identify internal biomarkers of drug, food and microbial ST:STUDY_SUMMARY exposures associated to Autism Spectrum Disorder (ASD) and neurodevelopmental ST:STUDY_SUMMARY outcomes in an enriched-risk cohort. Using targeted and untargeted internal ST:STUDY_SUMMARY exposome approaches to identify exposures in maternal blood and child cord ST:STUDY_SUMMARY blood, internal metabolomics biomarkers will be associated with related ST:STUDY_SUMMARY exposures and also associated with ASD. ST:INSTITUTE Emory University ST:DEPARTMENT School of Medicine ST:LABORATORY Clincal Biomarkers Laboratory ST:LAST_NAME Uppal ST:FIRST_NAME Karan ST:ADDRESS NA ST:EMAIL kuppal2@emory.edu ST:PHONE (404) 727 5027 ST:SUBMIT_DATE 2019-06-11 #SUBJECT SU:SUBJECT_TYPE Cord Blood SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE pediatric samples - 0 to 3 yrs #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GTW8-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_157,VT_190419_M380_159,VT_190419_M380_161 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GU28-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_163,VT_190415_M380_165,VT_190415_M380_167 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GU44-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_109,VT_190418_M380_111,VT_190418_M380_113 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GU77-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_103,VT_190418_M380_105,VT_190418_M380_107 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUA5-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_211,VT_190418_M380_213,VT_190418_M380_215 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUC1-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_181,VT_190419_M380_183,VT_190419_M380_185 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUH0-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_025,VT_190416_M380_027,VT_190416_M380_029 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUM9-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_211,VT_190415_M380_213,VT_190415_M380_215 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUQ0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_199,VT_190415_M380_201,VT_190415_M380_203 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUR8-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_265,VT_190418_M380_267,VT_190418_M380_269 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GUX4-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_025,VT_190415_M380_027,VT_190415_M380_029 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GV01-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_061,VT_190415_M380_063,VT_190415_M380_065 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GV19-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_043,VT_190418_M380_045,VT_190418_M380_047 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GV27-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_043,VT_190415_M380_045,VT_190415_M380_047 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GV50-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_121,VT_190418_M380_123,VT_190418_M380_125 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GV68-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_217,VT_190416_M380_219,VT_190416_M380_221 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVK2-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_235,VT_190415_M380_237,VT_190415_M380_239 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVR7-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_037,VT_190415_M380_039,VT_190415_M380_041 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVU0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_085,VT_190415_M380_087,VT_190415_M380_089 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVV8-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_031,VT_190415_M380_033,VT_190415_M380_035 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVW6-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_235,VT_190418_M380_237,VT_190418_M380_239 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GVY1-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_115,VT_190416_M380_117,VT_190416_M380_119 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GW26-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_163,VT_190416_M380_165,VT_190416_M380_167 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GW59-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_133,VT_190418_M380_135,VT_190418_M380_137 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GW67-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_073,VT_190418_M380_075,VT_190418_M380_077 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWA3-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_223,VT_190418_M380_225,VT_190418_M380_227 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWD6-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_061,VT_190418_M380_063,VT_190418_M380_065 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWG0-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_151,VT_190418_M380_153,VT_190418_M380_155 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWP0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_175,VT_190415_M380_177,VT_190415_M380_179 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWQ8-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_199,VT_190416_M380_201,VT_190416_M380_203 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWS3-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_217,VT_190418_M380_219,VT_190418_M380_221 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWT1-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_085,VT_190416_M380_087,VT_190416_M380_089 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GWY0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_253,VT_190415_M380_255,VT_190415_M380_257 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GX09-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_025,VT_190419_M380_027,VT_190419_M380_029 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GX25-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_169,VT_190418_M380_171,VT_190418_M380_173 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GX74-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_121,VT_190419_M380_123,VT_190419_M380_125 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GX82-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_169,VT_190419_M380_171,VT_190419_M380_173 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GXJ2-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_037,VT_190416_M380_039,VT_190416_M380_041 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GXR5-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_079,VT_190416_M380_081,VT_190416_M380_083 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GXS2-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_091,VT_190419_M380_093,VT_190419_M380_095 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GXY9-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_019,VT_190416_M380_021,VT_190416_M380_023 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GY57-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_049,VT_190415_M380_051,VT_190415_M380_053 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GY73-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_085,VT_190419_M380_087,VT_190419_M380_089 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GY99-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_055,VT_190416_M380_057,VT_190416_M380_059 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYD4-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_079,VT_190419_M380_081,VT_190419_M380_083 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYE2-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_019,VT_190419_M380_021,VT_190419_M380_023 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYF0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_223,VT_190415_M380_225,VT_190415_M380_227 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYJ1-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_103,VT_190419_M380_105,VT_190419_M380_107 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYL7-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_067,VT_190415_M380_069,VT_190415_M380_071 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYM5-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_073,VT_190416_M380_075,VT_190416_M380_077 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYN2-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_187,VT_190415_M380_189,VT_190415_M380_191 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYQ6-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_103,VT_190416_M380_105,VT_190416_M380_107 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYT9-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_229,VT_190416_M380_231,VT_190416_M380_233 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYU7-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_061,VT_190419_M380_063,VT_190419_M380_065 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYX0-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_265,VT_190415_M380_267,VT_190415_M380_269 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GYY8-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_265,VT_190416_M380_267,VT_190416_M380_269 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZ15-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_037,VT_190419_M380_039,VT_190419_M380_041 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZ56-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_157,VT_190415_M380_159,VT_190415_M380_161 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZ64-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_151,VT_190416_M380_153,VT_190416_M380_155 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZ72-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_109,VT_190419_M380_111,VT_190419_M380_113 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZA0-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_169,VT_190416_M380_171,VT_190416_M380_173 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZB8-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_139,VT_190415_M380_141,VT_190415_M380_143 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZC6-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_109,VT_190416_M380_111,VT_190416_M380_113 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZG7-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_181,VT_190418_M380_183,VT_190418_M380_185 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZQ5-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_163,VT_190419_M380_165,VT_190419_M380_167 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZR3-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_115,VT_190419_M380_117,VT_190419_M380_119 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZU6-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_253,VT_190416_M380_255,VT_190416_M380_257 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZV4-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_247,VT_190415_M380_249,VT_190415_M380_251 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1GZY7-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_181,VT_190416_M380_183,VT_190416_M380_185 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H007-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_127,VT_190415_M380_129,VT_190415_M380_131 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H023-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_061,VT_190416_M380_063,VT_190416_M380_065 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H031-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_247,VT_190416_M380_249,VT_190416_M380_251 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H064-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_019,VT_190418_M380_021,VT_190418_M380_023 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H098-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_097,VT_190415_M380_099,VT_190415_M380_101 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H0G7-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_169,VT_190415_M380_171,VT_190415_M380_173 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H0Q5-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_193,VT_190418_M380_195,VT_190418_M380_197 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H0T8-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_205,VT_190415_M380_207,VT_190415_M380_209 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H0U6-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_109,VT_190415_M380_111,VT_190415_M380_113 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H0W2-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_067,VT_190419_M380_069,VT_190419_M380_071 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H114-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_175,VT_190418_M380_177,VT_190418_M380_179 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H130-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_115,VT_190418_M380_117,VT_190418_M380_119 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H171-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_241,VT_190416_M380_243,VT_190416_M380_245 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1B7-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_133,VT_190416_M380_135,VT_190416_M380_137 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1D2-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_097,VT_190416_M380_099,VT_190416_M380_101 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1H4-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_085,VT_190418_M380_087,VT_190418_M380_089 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1L5-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_199,VT_190418_M380_201,VT_190418_M380_203 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1M3-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_049,VT_190416_M380_051,VT_190416_M380_053 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1Q4-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_055,VT_190415_M380_057,VT_190415_M380_059 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H1U5-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_235,VT_190416_M380_237,VT_190416_M380_239 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H239-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_133,VT_190415_M380_135,VT_190415_M380_137 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H270-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_073,VT_190415_M380_075,VT_190415_M380_077 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2A8-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_133,VT_190419_M380_135,VT_190419_M380_137 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2B6-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_127,VT_190416_M380_129,VT_190416_M380_131 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2C4-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_259,VT_190416_M380_261,VT_190416_M380_263 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2L4-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_091,VT_190418_M380_093,VT_190418_M380_095 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2N9-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_217,VT_190415_M380_219,VT_190415_M380_221 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2U4-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_187,VT_190416_M380_189,VT_190416_M380_191 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2V2-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_223,VT_190416_M380_225,VT_190416_M380_227 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2W0-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_163,VT_190418_M380_165,VT_190418_M380_167 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H2X7-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_187,VT_190418_M380_189,VT_190418_M380_191 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H320-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_091,VT_190415_M380_093,VT_190415_M380_095 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H3J7-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_229,VT_190418_M380_231,VT_190418_M380_233 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H3L3-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_049,VT_190418_M380_051,VT_190418_M380_053 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H3N8-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_043,VT_190419_M380_045,VT_190419_M380_047 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H3Q2-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_025,VT_190418_M380_027,VT_190418_M380_029 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H452-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_049,VT_190419_M380_051,VT_190419_M380_053 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H478-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_031,VT_190416_M380_033,VT_190416_M380_035 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H4N7-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_259,VT_190418_M380_261,VT_190418_M380_263 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H4S6-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_175,VT_190416_M380_177,VT_190416_M380_179 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H4X5-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_247,VT_190418_M380_249,VT_190418_M380_251 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H544-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_043,VT_190416_M380_045,VT_190416_M380_047 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H585-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_067,VT_190418_M380_069,VT_190418_M380_071 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5A5-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_175,VT_190419_M380_177,VT_190419_M380_179 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5D8-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_229,VT_190415_M380_231,VT_190415_M380_233 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5Q0-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_097,VT_190418_M380_099,VT_190418_M380_101 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5S5-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_079,VT_190418_M380_081,VT_190418_M380_083 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5V9-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_115,VT_190415_M380_117,VT_190415_M380_119 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5W7-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_271,VT_190415_M380_273,VT_190415_M380_275 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H5X4-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_079,VT_190415_M380_081,VT_190415_M380_083 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H619-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_187,VT_190419_M380_189,VT_190419_M380_191 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H627-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_127,VT_190419_M380_129,VT_190419_M380_131 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H650-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_157,VT_190418_M380_159,VT_190418_M380_161 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6B2-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_067,VT_190416_M380_069,VT_190416_M380_071 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6D7-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_205,VT_190416_M380_207,VT_190416_M380_209 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6F3-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_037,VT_190418_M380_039,VT_190418_M380_041 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6G1-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_127,VT_190418_M380_129,VT_190418_M380_131 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6H9-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_055,VT_190418_M380_057,VT_190418_M380_059 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6J4-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_103,VT_190415_M380_105,VT_190415_M380_107 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6T2-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_091,VT_190416_M380_093,VT_190416_M380_095 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6U0-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_073,VT_190419_M380_075,VT_190419_M380_077 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H6W6-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_031,VT_190418_M380_033,VT_190418_M380_035 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H726-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_121,VT_190415_M380_123,VT_190415_M380_125 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H734-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_157,VT_190416_M380_159,VT_190416_M380_161 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H783-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_253,VT_190418_M380_255,VT_190418_M380_257 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7B1-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_181,VT_190415_M380_183,VT_190415_M380_185 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7F2-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_241,VT_190415_M380_243,VT_190415_M380_245 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7K1-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_097,VT_190419_M380_099,VT_190419_M380_101 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7P0-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_205,VT_190418_M380_207,VT_190418_M380_209 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7S3-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_193,VT_190416_M380_195,VT_190416_M380_197 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7X2-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_151,VT_190419_M380_153,VT_190419_M380_155 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H7Y0-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_211,VT_190416_M380_213,VT_190416_M380_215 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H858-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_259,VT_190415_M380_261,VT_190415_M380_263 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H890-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_055,VT_190419_M380_057,VT_190419_M380_059 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H8E3-CB-00_1 Plasma:Cord blood Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190418_M380_241,VT_190418_M380_243,VT_190418_M380_245 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H8K0-CB-00_1 Plasma:Cord blood Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190416_M380_121,VT_190416_M380_123,VT_190416_M380_125 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H8L8-CB-00_1 Plasma:Cord blood Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190419_M380_031,VT_190419_M380_033,VT_190419_M380_035 SUBJECT_SAMPLE_FACTORS Cord Blood Study Sample C-1H8R5-CB-00_1 Plasma:Cord blood Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Cord blood; Raw files=VT_190415_M380_193,VT_190415_M380_195,VT_190415_M380_197 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1a_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_013,VT_190415_M380_015,VT_190415_M380_017 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1b_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_019,VT_190415_M380_021,VT_190415_M380_023 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1c_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_145,VT_190415_M380_147,VT_190415_M380_149 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1d_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_151,VT_190415_M380_153,VT_190415_M380_155 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1e_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_277,VT_190415_M380_279,VT_190415_M380_281 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_1f_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_283,VT_190415_M380_285,VT_190415_M380_287 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2a_1 Plasma:Plasma Date Analyzed=190416; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_007,VT_190416_M380_009,VT_190416_M380_011 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2b_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_013,VT_190416_M380_015,VT_190416_M380_017 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2c_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_139,VT_190416_M380_141,VT_190416_M380_143 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2d_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_145,VT_190416_M380_147,VT_190416_M380_149 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2e_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_271,VT_190416_M380_273,VT_190416_M380_275 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_2f_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_277,VT_190416_M380_279,VT_190416_M380_281 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3a_1 Plasma:Plasma Date Analyzed=190418; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_007,VT_190418_M380_009,VT_190418_M380_011 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3b_1 Plasma:Plasma Date Analyzed=190418; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_013,VT_190418_M380_015,VT_190418_M380_017 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3c_1 Plasma:Plasma Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_139,VT_190418_M380_141,VT_190418_M380_143 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3d_1 Plasma:Plasma Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_145,VT_190418_M380_147,VT_190418_M380_149 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3e_1 Plasma:Plasma Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_271,VT_190418_M380_273,VT_190418_M380_275 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_3f_1 Plasma:Plasma Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_277,VT_190418_M380_279,VT_190418_M380_281 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4a_1 Plasma:Plasma Date Analyzed=190419; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_007,VT_190419_M380_009,VT_190419_M380_011 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4b_1 Plasma:Plasma Date Analyzed=190419; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_013,VT_190419_M380_015,VT_190419_M380_017 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4c_1 Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_139,VT_190419_M380_141,VT_190419_M380_143 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4d_1 Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_145,VT_190419_M380_147,VT_190419_M380_149 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4e_1 Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_193,VT_190419_M380_195,VT_190419_M380_197 SUBJECT_SAMPLE_FACTORS Quality Control chearplasma_4f_1 Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_199,VT_190419_M380_201,VT_190419_M380_203 SUBJECT_SAMPLE_FACTORS Quality Control NIST SRM 1950_1a Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_001,VT_190415_M380_003,VT_190415_M380_005 SUBJECT_SAMPLE_FACTORS Quality Control NIST SRM 1950_2b Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_211,VT_190419_M380_213,VT_190419_M380_215 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_1a_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_007,VT_190415_M380_009,VT_190415_M380_011 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_1b_1 Plasma:Plasma Date Analyzed=190415; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190415_M380_289,VT_190415_M380_291,VT_190415_M380_293 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_2a_1 Plasma:Plasma Date Analyzed=190416; Batch=1; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_001,VT_190416_M380_003,VT_190416_M380_005 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_2b_1 Plasma:Plasma Date Analyzed=190416; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190416_M380_283,VT_190416_M380_285,VT_190416_M380_287 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_3a_1 Plasma:Plasma Date Analyzed=190418; Batch=2; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_001,VT_190418_M380_003,VT_190418_M380_005 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_3b_1 Plasma:Plasma Date Analyzed=190418; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190418_M380_283,VT_190418_M380_285,VT_190418_M380_287 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_4a_1 Plasma:Plasma Date Analyzed=190419; Batch=3; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_001,VT_190419_M380_003,VT_190419_M380_005 SUBJECT_SAMPLE_FACTORS Quality Control Q-Std Plasma pool_4b_1 Plasma:Plasma Date Analyzed=190419; Batch=4; CHEAR_Project_ID=2016-1438; Sample.Matrix=Plasma; Raw files=VT_190419_M380_205,VT_190419_M380_207,VT_190419_M380_209 #COLLECTION CO:COLLECTION_SUMMARY Cord blood samples were collected from infant participants at birth. Cord blood CO:COLLECTION_SUMMARY collected in tubes containing EDTA were transferred to 1.8ml freezer tubes and CO:COLLECTION_SUMMARY stored in a -70 degrees C freezer. The samples were shipped on dry ice from the CO:COLLECTION_SUMMARY University of California Davis biorepository storage facility and subsequently CO:COLLECTION_SUMMARY to the metabolomics analysis lab at Emory University. CO:SAMPLE_TYPE Cord Blood CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY Samples were received frozen in aliquouts of <250uL. Prior to analysis, samples TR:TREATMENT_SUMMARY were thawed and prepared for HRM analysis using the standard protocols described TR:TREATMENT_SUMMARY in the Sample Preparation section. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared for metabolomics analysis using established SP:SAMPLEPREP_SUMMARY methods(Johnson et al. (2010). Analyst; Go et al. (2015). Tox Sci). Prior to SP:SAMPLEPREP_SUMMARY analysis, plasma aliquots were removed from storage at -80 degrees C and thawed SP:SAMPLEPREP_SUMMARY on ice. Each cryotube was then vortexed briefly to ensure homogeneity, and 50 SP:SAMPLEPREP_SUMMARY microliters was transferred to a clean microfuge tube. Immediately after, the SP:SAMPLEPREP_SUMMARY plasma was treated with 100 microliters of ice-cold LC-MS grade acetonitrile SP:SAMPLEPREP_SUMMARY (Sigma Aldrich) containing 2.5 microliters of internal standard solution with SP:SAMPLEPREP_SUMMARY eight stable isotopic chemicals selected to cover a range of chemical SP:SAMPLEPREP_SUMMARY properties. Following addition of acetonitrile, urine was equilibrated for 30 SP:SAMPLEPREP_SUMMARY min on ice, upon which precipitated proteins were removed by centrifuge (14,000 SP:SAMPLEPREP_SUMMARY rpm at 4 degrees C for 10 min). The resulting supernatant (100 microliters) was SP:SAMPLEPREP_SUMMARY removed, added to a low volume autosampler vial and maintained at 4 degrees C SP:SAMPLEPREP_SUMMARY until analysis (<22 h). SP:SAMPLEPREP_PROTOCOL_ID HRM_SP_082016_01 SP:SAMPLEPREP_PROTOCOL_FILENAME EmoryUniversity_HRM_SP_082016_01.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Date effective: 30 July 2016 SP:EXTRACTION_METHOD 2:1 acetonitrile: sample followed by vortexing and centrifugation #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The HILIC column is operated parallel to reverse phase column for CH:CHROMATOGRAPHY_SUMMARY simultaneous analytical separation and column flushing through the use of a CH:CHROMATOGRAPHY_SUMMARY dual head HPLC pump equipped with 10-port and 6-port switching valves. During CH:CHROMATOGRAPHY_SUMMARY operation of "HILIC separation method, the MS is operated in positive ion CH:CHROMATOGRAPHY_SUMMARY mode and 10" microliters of sample is injected onto the HILIC column while CH:CHROMATOGRAPHY_SUMMARY the reverse phase column is flushing with wash solution. Flow rate is CH:CHROMATOGRAPHY_SUMMARY maintained at 0.35 mL/min "until 1.5 min, increased to 0.4 mL/min at 4 min CH:CHROMATOGRAPHY_SUMMARY and held for 1 min. Solvent A is" "100% LC-MS grade water, solvent B is 100% CH:CHROMATOGRAPHY_SUMMARY LC-MS grade acetonitrile and solvent C" is 2% formic acid (v/v) in LC-MS CH:CHROMATOGRAPHY_SUMMARY grade water. Initial mobile phase conditions "are 22.5% A, 75% B, 2.5% C hold CH:CHROMATOGRAPHY_SUMMARY for 1.5 min, with linear gradient to 77.5% A," "20% B, 2.5% C at 4 min, hold CH:CHROMATOGRAPHY_SUMMARY for 1 min, resulting in a total analytical run time" "of 5 min. During the CH:CHROMATOGRAPHY_SUMMARY flushing phase (reverse phase analytical separation), the" "HILIC column is CH:CHROMATOGRAPHY_SUMMARY equilibrated with a wash solution of 77.5% A, 20% B, 2.5% C." CH:METHODS_ID 2% formic acid in LC-MS grade water CH:METHODS_FILENAME 20160920_posHILIC120kres5min_ESI_c18negwash.meth CH:CHROMATOGRAPHY_COMMENTS Triplicate injections for each chromatography mode CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XBridge BEH Amide XP HILIC (50 x 2.1mm x 2.5um) with Thermo Accucore CH:COLUMN_NAME HILIC guard CH:COLUMN_TEMPERATURE 60C CH:SAMPLE_INJECTION 10 uL CH:SOLVENT_A 100% water CH:SOLVENT_B 100% acetonitrile CH:ANALYTICAL_TIME 5 min CH:SAMPLE_LOOP_SIZE 15 uL CH:SAMPLE_SYRINGE_SIZE 100 uL CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:LABORATORY_NAME Clinical Biomarkers Laboratory AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf AN:ACQUISITION_DATE 4/15/19-4/19/19 AN:SOFTWARE_VERSION Xcalibur 3.0.63 AN:OPERATOR_NAME ViLinh Tran AN:DETECTOR_TYPE Orbitrap AN:DATA_FORMAT Profile #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS NA MS:ION_MODE POSITIVE MS:CAPILLARY_TEMPERATURE 250C MS:COLLISION_GAS N2 MS:DRY_GAS_FLOW 45 MS:DRY_GAS_TEMP 150C MS:MASS_ACCURACY < 3ppm MS:SPRAY_VOLTAGE 3500 MS:ACTIVATION_PARAMETER 5.00E+05 MS:ACTIVATION_TIME 118ms MS:INTERFACE_VOLTAGE S-Lens RF level= 55 MS:SCANNING_RANGE 85-1275 MS:MS_RESULTS_FILE ST001193_AN001988_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Seconds #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples C-1GTW8-CB-00_1 C-1GU28-CB-00_1 C-1GU44-CB-00_1 C-1GU77-CB-00_1 C-1GUA5-CB-00_1 C-1GUC1-CB-00_1 C-1GUH0-CB-00_1 C-1GUM9-CB-00_1 C-1GUQ0-CB-00_1 C-1GUR8-CB-00_1 C-1GUX4-CB-00_1 C-1GV01-CB-00_1 C-1GV19-CB-00_1 C-1GV27-CB-00_1 C-1GV50-CB-00_1 C-1GV68-CB-00_1 C-1GVK2-CB-00_1 C-1GVR7-CB-00_1 C-1GVU0-CB-00_1 C-1GVV8-CB-00_1 C-1GVW6-CB-00_1 C-1GVY1-CB-00_1 C-1GW26-CB-00_1 C-1GW59-CB-00_1 C-1GW67-CB-00_1 C-1GWA3-CB-00_1 C-1GWD6-CB-00_1 C-1GWG0-CB-00_1 C-1GWP0-CB-00_1 C-1GWQ8-CB-00_1 C-1GWS3-CB-00_1 C-1GWT1-CB-00_1 C-1GWY0-CB-00_1 C-1GX09-CB-00_1 C-1GX25-CB-00_1 C-1GX74-CB-00_1 C-1GX82-CB-00_1 C-1GXJ2-CB-00_1 C-1GXR5-CB-00_1 C-1GXS2-CB-00_1 C-1GXY9-CB-00_1 C-1GY57-CB-00_1 C-1GY73-CB-00_1 C-1GY99-CB-00_1 C-1GYD4-CB-00_1 C-1GYE2-CB-00_1 C-1GYF0-CB-00_1 C-1GYJ1-CB-00_1 C-1GYL7-CB-00_1 C-1GYM5-CB-00_1 C-1GYN2-CB-00_1 C-1GYQ6-CB-00_1 C-1GYT9-CB-00_1 C-1GYU7-CB-00_1 C-1GYX0-CB-00_1 C-1GYY8-CB-00_1 C-1GZ15-CB-00_1 C-1GZ56-CB-00_1 C-1GZ64-CB-00_1 C-1GZ72-CB-00_1 C-1GZA0-CB-00_1 C-1GZB8-CB-00_1 C-1GZC6-CB-00_1 C-1GZG7-CB-00_1 C-1GZQ5-CB-00_1 C-1GZR3-CB-00_1 C-1GZU6-CB-00_1 C-1GZV4-CB-00_1 C-1GZY7-CB-00_1 C-1H007-CB-00_1 C-1H023-CB-00_1 C-1H031-CB-00_1 C-1H064-CB-00_1 C-1H098-CB-00_1 C-1H0G7-CB-00_1 C-1H0Q5-CB-00_1 C-1H0T8-CB-00_1 C-1H0U6-CB-00_1 C-1H0W2-CB-00_1 C-1H114-CB-00_1 C-1H130-CB-00_1 C-1H171-CB-00_1 C-1H1B7-CB-00_1 C-1H1D2-CB-00_1 C-1H1H4-CB-00_1 C-1H1L5-CB-00_1 C-1H1M3-CB-00_1 C-1H1Q4-CB-00_1 C-1H1U5-CB-00_1 C-1H239-CB-00_1 C-1H270-CB-00_1 C-1H2A8-CB-00_1 C-1H2B6-CB-00_1 C-1H2C4-CB-00_1 C-1H2L4-CB-00_1 C-1H2N9-CB-00_1 C-1H2U4-CB-00_1 C-1H2V2-CB-00_1 C-1H2W0-CB-00_1 C-1H2X7-CB-00_1 C-1H320-CB-00_1 C-1H3J7-CB-00_1 C-1H3L3-CB-00_1 C-1H3N8-CB-00_1 C-1H3Q2-CB-00_1 C-1H452-CB-00_1 C-1H478-CB-00_1 C-1H4N7-CB-00_1 C-1H4S6-CB-00_1 C-1H4X5-CB-00_1 C-1H544-CB-00_1 C-1H585-CB-00_1 C-1H5A5-CB-00_1 C-1H5D8-CB-00_1 C-1H5Q0-CB-00_1 C-1H5S5-CB-00_1 C-1H5V9-CB-00_1 C-1H5W7-CB-00_1 C-1H5X4-CB-00_1 C-1H619-CB-00_1 C-1H627-CB-00_1 C-1H650-CB-00_1 C-1H6B2-CB-00_1 C-1H6D7-CB-00_1 C-1H6F3-CB-00_1 C-1H6G1-CB-00_1 C-1H6H9-CB-00_1 C-1H6J4-CB-00_1 C-1H6T2-CB-00_1 C-1H6U0-CB-00_1 C-1H6W6-CB-00_1 C-1H726-CB-00_1 C-1H734-CB-00_1 C-1H783-CB-00_1 C-1H7B1-CB-00_1 C-1H7F2-CB-00_1 C-1H7K1-CB-00_1 C-1H7P0-CB-00_1 C-1H7S3-CB-00_1 C-1H7X2-CB-00_1 C-1H7Y0-CB-00_1 C-1H858-CB-00_1 C-1H890-CB-00_1 C-1H8E3-CB-00_1 C-1H8K0-CB-00_1 C-1H8L8-CB-00_1 C-1H8R5-CB-00_1 chearplasma_1a_1 chearplasma_1b_1 chearplasma_1c_1 chearplasma_1d_1 chearplasma_1e_1 chearplasma_1f_1 chearplasma_2a_1 chearplasma_2b_1 chearplasma_2c_1 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114019.9000 361324.9000 383204.7000 383873.8000 395760.3000 182997.3000 195252.2000 436642.3000 143781.9000 390942.9000 364132.7000 340059.8000 183663.0000 372947.1000 363140.7000 399595.4000 330740.3000 530209.4000 155563.9000 359537.1000 200454.7000 165674.4000 191396.2000 247619.9000 158033.3000 348549.6000 174472.6000 369413.2000 361159.5000 346684.4000 171003.2000 471802.4000 307135.1000 420974.7000 342590.8000 299261.5000 275156.2000 133754.8000 271887.6000 309143.4000 315983.4000 160934.4000 330951.1000 131876.0000 347498.6000 297852.3000 294905.3000 114213.6000 265493.0000 314654.0000 471533.0000 436734.8000 480794.7000 212676.1000 262597.3000 170460.4000 191400.6000 520650.7000 317579.7000 466519.6000 203426.3000 375755.6000 376153.7000 78174.7000 494794.8000 511409.7000 345842.1000 Citicoline 828347.7000 548824.1000 637813.4000 23349.8000 382898.5000 272026.9000 448891.8000 184500.3000 564666.5000 159904.5000 97297.5000 101197.1000 75664.1000 1014169.6000 574480.7000 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105250295.3000 208681405.5000 174053515.8000 171532341.3000 185943480.7000 199389015.3000 142652112.5000 421336182.3000 192473313.4000 193328165.9000 116486800.3000 156834273.0000 146436273.8000 107242981.3000 159224232.6000 111338591.5000 153673909.5000 191758528.9000 155965882.8000 211346780.5000 227412014.1000 144426712.4000 140802303.8000 114693796.5000 129004575.7000 178186906.3000 101151305.6000 217627233.0000 145355374.3000 180287421.0000 190106317.2000 161481914.5000 85721986.3000 171000745.5000 201634647.2000 110794052.3000 220122668.7000 97099817.7000 119503716.6000 222673166.2000 147365845.8000 115046654.6000 203793159.1000 197036780.4000 134862704.6000 114160869.9000 170350275.3000 191873138.0000 95973573.1000 192571429.6000 204503823.5000 163170021.4000 149666990.6000 178885606.4000 177242769.6000 144825528.9000 130237893.7000 228418149.7000 139571159.1000 141921313.5000 84103759.6000 121272823.4000 306678465.6000 115514222.7000 214391266.4000 161626730.9000 246662214.5000 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3166703.0000 532070.8000 189537.2000 1913893.7000 3057961.0000 443168.2000 323353.4000 463201.1000 1468595.9000 586638.8000 931662.8000 977737.1000 197129.5000 755823.8000 1051594.1000 4427993.6000 545507.0000 3845776.7000 2993137.1000 271806.9000 1292212.3000 208673.7000 670164.6000 870439.7000 1087782.6000 564868.9000 69095.0000 251928.5000 1306758.4000 445980.1000 408417.9000 423842.1000 326007.0000 333734.5000 181989.1000 165269.6000 143841.5000 151819.2000 164015.4000 373777.2000 305887.7000 270819.0000 182253.9000 100864.6000 48566.9000 217831.1000 223329.7000 295889.2000 356918.7000 218996.5000 221585.8000 315877.5000 326913.3000 263771.2000 255900.7000 282945.0000 245956.1000 124305.0000 364345.5000 150479.2000 274375.9000 253710.5000 128327.4000 272635.6000 207230.7000 344088.7000 355627.2000 Cystine 47275591.3000 79308169.1000 106424285.3000 56216035.3000 59842942.9000 66699402.0000 39797228.1000 81698729.8000 126001756.3000 59160538.2000 57354367.2000 64481068.4000 77772681.2000 54977641.2000 71466954.6000 55814135.3000 64131339.5000 92185204.0000 65924705.2000 40191105.0000 63781246.5000 67043036.2000 64589809.7000 85662541.3000 72497396.8000 51981535.0000 83816927.4000 76046164.2000 81204363.6000 41680051.9000 43828232.4000 115441087.5000 60800518.7000 64329596.9000 92604929.7000 61718847.7000 52289984.2000 45000715.1000 94751502.6000 63811753.7000 67174200.9000 60203750.0000 112480446.2000 94838864.9000 28392936.7000 77651955.0000 80329502.4000 51729707.7000 65779505.3000 61295985.0000 49207457.2000 55850728.7000 33537013.7000 57384701.2000 83284581.3000 58169146.6000 66509221.8000 108776857.1000 83983287.4000 75887333.4000 78174828.2000 72683412.6000 125126925.7000 84059324.6000 67666881.7000 39130138.4000 20596055.3000 71812477.9000 74625730.2000 66287645.7000 76209835.6000 70714143.7000 79117712.8000 55006277.7000 64741742.8000 50283262.5000 113971924.5000 103513566.2000 79595531.0000 89759050.3000 84778277.0000 42528273.7000 58606293.7000 60832325.5000 97477357.1000 40375893.9000 102536834.9000 75765253.7000 35221188.5000 42293056.4000 39958297.9000 65133694.5000 52328894.4000 50533745.8000 68540079.9000 43798922.0000 72541399.5000 24079053.7000 72925281.9000 49928586.6000 49822527.2000 41068589.7000 56556054.1000 112544637.1000 88596244.2000 119205360.7000 62172071.4000 57461116.1000 107741961.0000 40711043.6000 26888544.1000 116402673.4000 75728833.2000 70928102.4000 117155100.8000 44186115.9000 70171040.5000 34007228.5000 74832320.3000 67832928.8000 46456437.4000 84338254.6000 81477110.4000 38567866.9000 66338494.6000 87684097.6000 81689019.4000 62444081.6000 78705668.6000 101818778.7000 35272593.8000 43006546.0000 128350252.9000 50458847.6000 76082570.6000 57753539.6000 49276423.0000 29443860.5000 61859037.6000 47538723.0000 60974331.2000 82648567.1000 119699775.8000 32631467.2000 39004790.7000 53963918.5000 105612958.6000 17013040.0000 16643308.9000 8931610.3000 7726268.3000 12352062.9000 11105900.5000 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434770012.1000 774255123.5000 626309998.3000 521241780.3000 670068597.4000 607871772.6000 786951837.8000 750329053.8000 Methyl jasmonate 130283.5000 1000054.9000 802084.3000 371949.7000 479224.2000 652299.8000 640246.8000 867642.6000 475347.6000 2168374.6000 383417.0000 1889023.3000 778521.9000 336377.9000 972839.7000 1142280.4000 982028.2000 519365.4000 334099.6000 414975.0000 635481.9000 302182.1000 1488933.0000 618458.9000 283664.3000 522478.2000 730252.9000 601398.6000 882594.2000 381147.6000 494678.0000 572516.6000 1142479.5000 1328129.8000 588160.8000 834484.5000 159551.4000 702467.0000 458084.8000 168225.3000 1698975.8000 1132117.4000 194623.1000 644680.0000 383218.7000 584451.7000 347062.4000 663089.8000 1149604.2000 906494.2000 765201.7000 734114.0000 827312.0000 536518.8000 697978.2000 778751.0000 1093194.5000 296399.4000 2445284.0000 192417.9000 705141.2000 341127.3000 396430.6000 1045610.7000 333043.9000 938817.3000 713411.3000 719674.6000 705141.2000 1029338.5000 782171.6000 672350.6000 558748.7000 941648.8000 418709.0000 462614.8000 957748.2000 560538.8000 924497.9000 687427.0000 690492.0000 432609.8000 1192977.3000 827028.2000 275860.2000 583332.6000 653044.7000 514836.1000 553558.3000 1025273.0000 1361913.3000 683018.9000 554119.9000 195336.6000 555889.2000 343315.3000 731452.9000 865403.0000 750050.7000 888667.5000 430655.1000 297602.6000 567513.7000 1032541.3000 1071509.7000 1564531.3000 719427.6000 559655.9000 695071.4000 601247.1000 268370.1000 471323.0000 174186.0000 94601.8000 385329.0000 444692.4000 305716.0000 221756.4000 409637.4000 505759.3000 572299.3000 720400.2000 566293.7000 586364.9000 565381.0000 595881.5000 685166.5000 398863.9000 166197.9000 1086824.0000 621885.9000 987284.6000 836348.8000 671702.1000 480931.6000 1529494.4000 1053665.4000 347402.9000 512343.5000 231022.4000 374977.1000 445838.7000 922285.9000 502927.1000 719344.6000 1126956.9000 452365.9000 1049120.7000 1412969.3000 648215.4000 819949.8000 293890.4000 620635.0000 476816.1000 533453.6000 445473.1000 683882.7000 899714.1000 762430.6000 717880.3000 573933.2000 527245.1000 747135.4000 2235317.2000 1889690.3000 1303111.7000 1386691.1000 564209.7000 921366.9000 738949.0000 884676.7000 721355.6000 287364.6000 770219.7000 631810.7000 448035.3000 810882.5000 696693.8000 1528841.0000 1232032.1000 601932.1000 N6N6N6-Trimethyl-L-lysine 13493442.7000 11730778.4000 14086662.7000 11057657.6000 10949975.5000 15492704.2000 12865260.6000 11292053.5000 23332720.1000 13886583.0000 11832009.2000 10300788.0000 9723035.2000 10619224.2000 11212724.0000 11198681.3000 19360694.7000 16834785.0000 10535786.0000 12783545.8000 10378586.5000 13746673.1000 13787177.1000 14889298.9000 12575688.1000 8848402.1000 12863454.0000 16859132.9000 11040056.6000 10154545.9000 9773023.6000 15026177.3000 13018189.9000 13108973.0000 16157891.8000 11365554.9000 20959406.6000 7663421.7000 12325976.6000 11167546.1000 11921684.5000 5719678.9000 16498864.9000 14801578.9000 17384661.0000 30092261.5000 11138966.6000 8173837.9000 9428400.6000 10351931.0000 10200134.9000 12496549.1000 6012299.1000 13033696.7000 11823657.7000 12136781.5000 9672285.7000 11985825.4000 15016466.8000 11063393.7000 16778027.6000 7199246.3000 24681241.9000 11131345.6000 12496352.1000 8596818.1000 4849660.4000 22219123.2000 11396702.9000 12394592.5000 12562665.6000 16216920.8000 14345336.1000 8354908.0000 5934443.4000 8395079.0000 21840695.6000 12246604.8000 14045947.7000 11970892.5000 12659251.3000 10966235.9000 13698822.0000 13010834.2000 14240369.3000 7040671.6000 15135771.1000 10552629.4000 21797179.1000 15436001.3000 5001824.4000 16236985.4000 15650599.6000 7869261.1000 17870115.4000 15944458.3000 13838449.2000 10679880.8000 36484347.6000 8394758.4000 6884086.5000 7483543.4000 12520240.1000 10538588.7000 12962276.3000 15394858.0000 9152577.8000 7125018.5000 16527885.7000 12134598.8000 9832135.7000 13463913.2000 9435331.9000 10780236.6000 20134800.1000 11237976.2000 7586738.3000 19995133.7000 11113848.8000 10809512.7000 14063472.4000 12883371.7000 10270217.5000 6319955.4000 15000884.9000 14503689.9000 9106135.2000 11731029.9000 19594624.4000 16450203.3000 11423565.7000 12076911.0000 22371974.8000 13093937.3000 10735540.0000 6483229.7000 7761203.6000 13361314.9000 6761886.7000 11388275.7000 8246283.8000 13285773.7000 14555527.2000 7897125.0000 12390867.3000 8769253.8000 14190899.7000 8090326.3000 7842172.1000 11345609.6000 11057090.8000 13310440.2000 12811369.9000 9564441.4000 9496836.4000 7465452.4000 6995156.1000 5839564.6000 5419614.2000 8582924.9000 8567181.3000 10836602.0000 10594687.6000 7132727.1000 7191034.8000 7967411.5000 8301757.9000 7149330.3000 6015360.2000 7535988.7000 6337049.6000 7540978.7000 9786665.6000 7551887.4000 19236601.1000 8646047.8000 7989247.8000 10663419.4000 7548408.5000 10443332.4000 9421145.5000 N-Acetyl-L-aspartic acid 510497.6000 3742071.6000 232735.4000 1197228.7000 298659.6000 502015.3000 22096.4000 5860143.4000 411368.5000 329150.8000 1091922.0000 550207.2000 715933.8000 101807.2000 951366.4000 335716.1000 631670.0000 3141577.3000 2905963.9000 476360.1000 270355.4000 1172061.5000 434443.9000 5940658.2000 266076.3000 1924030.8000 734639.4000 1504568.0000 440650.3000 940627.1000 705275.3000 370868.9000 633258.0000 954256.3000 1022346.7000 1939081.6000 202938.9000 406487.1000 853385.5000 516330.8000 711323.8000 1258952.3000 2913151.3000 2795875.2000 1335917.8000 2219512.1000 10986327.7000 876992.8000 1594750.9000 519538.2000 899571.3000 1081770.8000 796210.8000 1482020.2000 4537949.6000 406161.7000 1084323.1000 851537.9000 2365969.1000 963649.1000 936067.6000 3994997.1000 549336.4000 490051.4000 2220909.1000 486935.0000 417877.0000 1612492.9000 1496292.2000 4656878.8000 342714.9000 294093.7000 834762.4000 110986.1000 945353.0000 511411.3000 3679573.5000 368535.6000 464723.1000 385772.7000 603355.4000 55125.8000 526337.0000 5648551.4000 1562749.5000 1679467.9000 835526.9000 538440.3000 680862.4000 304662.8000 899615.5000 374710.5000 4458209.4000 8338461.8000 744119.7000 454110.5000 1095067.4000 1365795.2000 501129.3000 443665.2000 396519.7000 962832.9000 475828.3000 2364593.1000 9896668.3000 1366438.9000 406473.6000 855981.8000 9323001.1000 928815.7000 405964.5000 10815568.9000 1263633.0000 1167279.8000 425456.6000 2344575.7000 574055.6000 587055.5000 2240568.2000 1185379.7000 584750.6000 1688488.4000 2643630.5000 553236.0000 345311.4000 195172.0000 318177.9000 244442.3000 3940200.6000 371574.4000 3641816.4000 853651.6000 200781.6000 5035564.0000 1285903.0000 1065271.7000 486652.1000 323505.1000 302988.1000 179981.7000 226690.3000 167216.1000 206772.0000 167301.7000 22103.0000 113980.2000 118241.9000 187037.7000 119148.2000 146873.1000 239966.0000 179684.7000 495637.7000 213915.4000 159489.6000 N-Acetylleucine 357297.6000 355435.7000 294000.7000 738583.4000 675869.9000 965964.9000 457965.3000 462658.5000 850381.7000 1456822.0000 524193.2000 304140.0000 362837.2000 678743.0000 813588.9000 356502.3000 277153.6000 411023.2000 323254.8000 928994.7000 608262.6000 569624.9000 458236.0000 199883.5000 375050.7000 282661.9000 1656524.4000 602575.5000 337887.2000 680094.9000 447173.3000 163579.3000 591915.0000 611976.7000 419134.4000 278862.2000 369957.3000 319356.9000 821903.6000 1144874.1000 449415.3000 1300554.0000 319051.1000 468960.4000 528400.7000 1015985.9000 226235.2000 565552.1000 822175.3000 387149.5000 1065416.6000 1438303.6000 436934.3000 417313.9000 752505.9000 197746.8000 810155.5000 793216.2000 275309.9000 929336.5000 1501692.0000 326469.8000 913882.1000 347605.7000 466233.3000 298765.8000 215380.0000 552294.1000 295953.0000 376596.8000 1154266.4000 542336.4000 990879.1000 1126142.4000 357462.6000 445220.8000 311401.0000 546072.2000 1995999.1000 371750.1000 446108.9000 1214087.2000 767754.7000 741818.3000 1225020.4000 384665.9000 494169.2000 1583346.5000 523271.8000 1016443.8000 275607.5000 595568.4000 1055101.2000 464567.5000 1429004.4000 666752.8000 341134.0000 530257.8000 293429.6000 701442.7000 1140452.7000 296972.6000 1297573.2000 481760.7000 1079147.2000 335592.0000 678835.4000 737445.2000 544792.7000 419823.3000 919278.3000 796184.5000 511034.3000 428246.6000 429706.7000 619396.3000 396423.7000 915238.8000 581277.4000 616963.0000 877946.4000 437288.9000 1592662.2000 718607.9000 629357.4000 466945.1000 286044.8000 1614739.8000 776017.7000 424061.9000 521711.3000 369713.0000 226298.9000 440965.0000 569274.7000 369652.1000 307085.2000 456386.2000 407981.9000 404863.0000 701974.9000 493764.5000 446702.7000 634389.2000 1028312.8000 994636.0000 455807.6000 530927.0000 341856.9000 577198.5000 536687.4000 563231.7000 543290.6000 549971.7000 541434.0000 451877.7000 488354.2000 451511.4000 460686.1000 482605.7000 521977.7000 413088.0000 444514.7000 933199.4000 530534.2000 713536.9000 696559.8000 557189.2000 411550.1000 543532.3000 542044.5000 357610.6000 268781.0000 614600.9000 565799.4000 488177.3000 667144.7000 729497.0000 658313.2000 773092.1000 567393.3000 N-Acetyl-L-phenylalanine 2727353.8000 2466768.3000 1305997.8000 1641389.4000 1619427.1000 1054978.5000 19547394.3000 1191304.0000 1777911.5000 14743430.3000 939318.1000 2241209.7000 2284166.6000 1523644.3000 1696976.6000 1450339.8000 1736090.0000 1013792.2000 1276270.6000 1187538.0000 2294437.5000 2214929.7000 3122395.4000 2302253.9000 2592568.8000 1798768.0000 7385699.2000 2487300.8000 1872737.3000 3172283.4000 2581398.2000 26045361.7000 2637094.2000 1820502.3000 2842097.3000 1012514.8000 2407584.4000 1599201.1000 1884600.4000 1322197.6000 13091726.9000 1029678.2000 341631.6000 3024847.9000 995299.6000 1632888.2000 1785457.1000 947962.9000 1003335.6000 7888633.0000 1886164.5000 1372663.1000 2133550.2000 1800940.9000 1652638.3000 21210340.8000 1253648.7000 1547445.6000 1358106.3000 1167608.4000 1767541.6000 1213319.7000 946942.4000 1580400.9000 3017317.2000 1611570.6000 2235453.4000 2756773.6000 1967691.4000 1369781.0000 1923322.3000 1168368.8000 1870477.2000 1576922.5000 2371622.7000 1818714.3000 1570423.6000 1335683.7000 1081035.9000 2220825.0000 1561219.7000 1195418.6000 1554651.1000 3126691.4000 3383690.6000 958790.6000 1028917.2000 2100320.0000 1570966.1000 2432313.7000 907916.8000 2496724.4000 971276.1000 974731.2000 1191837.2000 1671583.3000 1567929.9000 1740284.0000 3237608.5000 1609915.6000 2475713.5000 2592546.8000 2537375.8000 N-Alpha-acetyllysine 3687043.6000 7349999.7000 7065076.1000 5055999.8000 4528402.4000 4105308.4000 3776827.8000 4503899.0000 5735769.2000 7699006.7000 5856417.7000 10819854.2000 5615110.1000 4710138.3000 4709959.0000 4902597.5000 4986566.0000 7912994.0000 10778252.1000 5355234.7000 5268262.8000 4290721.4000 5808867.8000 4645158.1000 6223841.0000 12410547.7000 4371441.1000 5037382.2000 3996974.1000 4957809.3000 3480248.6000 5043879.6000 4381648.9000 3636543.6000 6019779.6000 3644945.5000 3361761.6000 3616048.3000 5423305.0000 4185160.2000 5752326.9000 4797118.8000 5482248.7000 5233140.6000 4500260.1000 5964590.6000 3537648.0000 3665186.2000 4103110.6000 3858529.9000 4257125.1000 4940717.7000 3625417.0000 3268744.1000 5568543.7000 5672590.6000 4028250.8000 5063382.7000 5188627.5000 4556309.0000 5308997.7000 4434444.6000 7189559.1000 4685020.3000 4536244.6000 3510305.0000 3573024.3000 399123.6000 4962314.2000 4397391.5000 6094533.4000 5052524.8000 5515638.4000 5311407.6000 4639655.6000 4069930.8000 5480182.8000 3510812.9000 6348124.0000 5009654.1000 5806811.2000 3861567.9000 4701460.9000 5592779.8000 7849248.8000 2518518.3000 5637737.3000 6095499.8000 3218455.6000 7060212.0000 3476763.0000 5166712.5000 5763327.9000 4227916.6000 5077438.6000 4370010.6000 4715145.5000 3471463.7000 4358773.5000 4613616.1000 3777406.3000 3752579.0000 4571206.8000 4825784.2000 5167200.9000 5675194.4000 3847683.3000 4010221.5000 6010434.4000 3994089.8000 4853394.0000 6872869.3000 4675674.8000 4070623.7000 7034387.1000 6034822.7000 5010580.8000 5641821.6000 6003268.4000 4117381.2000 4973269.7000 5885392.3000 6896786.1000 3088861.2000 5531313.7000 5870193.5000 4777720.9000 3675225.1000 5015810.3000 4819816.0000 4494896.7000 6687093.2000 3862018.1000 3835843.5000 10732329.3000 3542963.2000 7347602.9000 3345431.9000 3920827.3000 5074845.8000 4505507.6000 4806344.5000 2823372.8000 4821056.5000 3645856.0000 4163819.9000 1894277.4000 4108373.3000 1888824.8000 3696504.1000 9952038.6000 12341430.5000 14237936.9000 2959268.0000 10950431.8000 3838144.6000 2427740.5000 3002512.1000 2396797.3000 2691404.9000 5661332.0000 5694148.9000 4861043.5000 14864549.6000 10442897.8000 11674572.3000 9387836.5000 9932528.1000 11634596.0000 9288041.8000 2159486.4000 3029150.6000 9984606.2000 4543640.7000 15179343.8000 3396703.3000 3690395.7000 3238542.2000 3515137.5000 3256966.1000 Ornithine 431787321.4000 514360069.3000 392634726.1000 501006900.3000 260418954.8000 316121524.1000 553121769.0000 411190725.5000 350827942.5000 767627741.8000 366990389.1000 580147572.5000 388106293.1000 545923393.6000 619473699.7000 334631265.6000 482753983.1000 496512338.2000 485752504.5000 831663775.8000 267311127.0000 369837091.0000 428403468.3000 551307453.0000 305072768.6000 197092764.0000 382195862.8000 376859359.6000 641346060.0000 357216887.6000 199376846.6000 291284165.1000 656133881.2000 647969296.6000 715431032.2000 304994873.7000 256543027.5000 216300192.7000 447462746.8000 473603046.9000 469959055.4000 488705724.0000 693883780.0000 654062313.9000 860510996.3000 595079258.8000 281737663.9000 409101813.2000 595406433.1000 578114660.4000 401220093.2000 618599441.4000 255263084.8000 483213669.7000 152705041.7000 430116938.1000 530449804.2000 366959470.3000 489181842.4000 435090958.9000 452874701.4000 488704915.3000 587763602.3000 208951720.1000 284359767.6000 228851932.8000 179978256.9000 490608981.2000 635003220.2000 193332387.7000 895405327.7000 471865845.3000 442946477.8000 618187245.3000 361231497.9000 272962137.1000 420918267.8000 459482746.2000 300446650.1000 296128136.1000 449836194.5000 267902779.4000 614885759.4000 491092672.5000 552997140.9000 242801808.8000 707064007.5000 739560379.5000 297895095.2000 454108062.8000 236772611.0000 318954139.0000 631568260.0000 376720193.3000 656585993.7000 506003511.2000 397090547.0000 204668906.3000 343212094.4000 254161893.3000 581568847.3000 205737226.1000 585922629.6000 345725729.5000 536067526.6000 617137749.1000 305339000.4000 169821869.6000 582867518.4000 430966631.1000 219776352.8000 732884021.5000 217776476.1000 164577161.1000 576877199.9000 673827160.5000 402176621.2000 357606669.0000 456230165.2000 484622545.8000 359864263.7000 518086426.3000 370036683.5000 183896514.3000 393118835.7000 699240950.1000 390050253.8000 426411478.7000 374774134.6000 492330333.9000 278860447.0000 563770197.3000 610000762.5000 394332402.1000 422170052.4000 228580965.7000 270336138.9000 621432511.0000 254393141.8000 537526885.8000 257993301.5000 377489498.9000 537332118.2000 301845739.7000 390281753.7000 319355238.0000 347321539.4000 186708304.7000 154107385.2000 125078842.0000 114244545.7000 134540613.5000 122212756.1000 238278457.1000 233488748.5000 204882231.7000 195580503.5000 156928841.5000 149503142.4000 205290925.4000 208055574.7000 243971280.3000 242320229.1000 191118632.2000 187808704.7000 222811140.3000 223814677.5000 181567379.5000 177855319.2000 198171748.3000 187091582.4000 199874224.0000 327860113.3000 332040758.1000 576322957.4000 408286067.2000 330794323.4000 474309087.0000 364503445.1000 535000920.0000 534619648.4000 Pantothenic acid 6216689.6000 3772668.1000 5112795.3000 2402786.3000 1949785.5000 783121.8000 8083850.0000 1359514.3000 56792124.2000 1647895.9000 2379401.9000 4705763.6000 388785.6000 1460764.1000 2463756.3000 1577418.3000 2387222.5000 1624553.8000 4291669.2000 2208013.7000 1323060.9000 8981048.2000 18640405.6000 2220742.5000 2178922.9000 3542393.9000 1772395.6000 871336.1000 1062829.7000 5204400.6000 3826308.5000 2185446.0000 4257519.1000 4290687.7000 1826853.8000 684671.0000 3281058.6000 3980473.0000 15716711.7000 2850903.9000 4312427.1000 7228858.4000 44349717.5000 7969030.0000 5693825.9000 4632265.9000 2136788.0000 3412692.7000 1393059.2000 1466054.4000 4955741.9000 3142728.2000 1809766.9000 667675.2000 4206806.7000 2128732.3000 493239.7000 1899021.4000 5905481.8000 3225670.2000 1790072.6000 13051500.5000 3322269.1000 2294499.8000 7380.3000 2244112.0000 176233.3000 2581489.0000 2222233.9000 1772050.2000 477303.3000 1627206.8000 1521243.1000 118512.7000 1388668.2000 1005064.5000 1080679.5000 1175857.7000 1569009.8000 42801.0000 7040030.5000 3054383.3000 2082562.2000 3286302.8000 9109490.6000 1632783.5000 149076.7000 2855976.5000 3466165.0000 1814531.5000 2614156.8000 654436.9000 25578641.7000 1782869.2000 355906.8000 312870.5000 1800182.7000 2286201.9000 22301063.1000 2443608.0000 62900.4000 1747832.8000 14252230.7000 6382089.7000 861237.9000 214430.0000 10165461.5000 3984886.4000 24528162.5000 1846989.7000 2237650.6000 1623813.5000 11073752.5000 5387727.2000 1904452.9000 2058168.0000 1543606.0000 2456653.2000 1163690.7000 1123988.0000 5064784.2000 13171718.7000 25446653.8000 3931481.2000 1152258.9000 1537024.3000 2220378.5000 817435.1000 16824951.5000 1203802.9000 2047636.8000 1289034.5000 1225842.3000 1284887.7000 5899626.4000 14881830.0000 765111.9000 1275596.3000 702670.9000 19395363.4000 8278487.7000 1123512.9000 516086.7000 920960.2000 669654.7000 24099.5000 815195.2000 764440.5000 1087152.2000 572178.0000 Phenylacetic acid 937363.5000 900624.2000 1074862.1000 961712.0000 878570.8000 1016417.3000 1019162.3000 942750.6000 838064.7000 2049662.6000 366180.4000 1400835.2000 1127890.1000 1128658.3000 1087243.1000 1212937.8000 1011221.5000 1193569.7000 1022832.6000 1322632.0000 934966.3000 989210.8000 981674.2000 947859.8000 546365.0000 884213.7000 1156146.0000 1030532.7000 905550.1000 1061636.9000 906194.9000 982302.5000 459766.6000 1263331.8000 985849.2000 966297.9000 995341.6000 919747.2000 817351.3000 1024159.3000 783645.3000 1201685.7000 1068378.8000 956686.9000 1037453.1000 1268473.0000 1019101.8000 914178.0000 1152866.0000 919986.8000 1008700.9000 959752.8000 1303734.9000 1263426.8000 1043612.9000 1402525.5000 1141201.7000 1025263.9000 1166407.6000 1100830.1000 1034540.6000 963891.5000 795058.2000 915104.1000 976872.3000 1062594.6000 1181555.5000 1003352.8000 1148086.3000 1038781.5000 924563.5000 1179752.8000 1043849.3000 391591.2000 972859.8000 902227.7000 989023.8000 993308.1000 970906.4000 968647.6000 1032758.9000 21317.5000 1111993.7000 906811.8000 971678.2000 973268.7000 1090071.1000 1131331.5000 1286462.3000 956713.6000 1148511.3000 957116.1000 1162274.7000 1103705.7000 1095374.1000 988882.8000 1108864.9000 1085086.0000 950949.5000 998941.3000 980741.9000 952400.6000 1091501.1000 1194905.9000 1048872.5000 1060496.6000 968670.6000 859096.7000 1066754.3000 828797.0000 944675.6000 1122555.0000 1039608.1000 935293.4000 1090432.1000 892676.7000 922791.5000 1239895.6000 1095374.4000 950003.5000 969318.3000 856027.0000 868000.1000 1297479.9000 1049850.3000 886604.5000 1016015.6000 1052143.9000 950688.4000 1117593.0000 1210134.7000 921268.8000 1108230.0000 979744.0000 983784.6000 993916.8000 981309.9000 978133.4000 1078419.9000 932144.6000 1053816.2000 1248340.9000 996074.1000 918046.4000 1097967.8000 1238782.6000 890459.0000 1151176.4000 1150532.0000 913343.9000 763090.7000 851462.7000 936119.9000 895985.3000 774262.7000 770310.5000 931390.6000 859439.7000 944481.9000 824914.0000 843523.6000 843191.7000 853297.3000 1341800.2000 1212637.8000 388104.7000 1218536.3000 285824.8000 813111.8000 801631.2000 802192.8000 1475797.6000 895391.3000 1303925.1000 963427.4000 1182838.4000 1054714.2000 948784.4000 1521006.1000 1435373.4000 888974.1000 Phosphocreatine 830715.4000 3859526.2000 409619.0000 4468392.5000 4261759.1000 99670.6000 155222.3000 4943266.9000 8217860.8000 230778.1000 433211.8000 765977.4000 352772.8000 390075.7000 8328706.8000 217076.4000 152584.0000 438158.3000 213495.2000 1385681.7000 819402.1000 2388118.7000 302158.7000 347699.2000 190291.7000 764571.3000 1831988.5000 2164030.8000 414310.2000 50530.1000 55760.9000 734510.5000 697315.4000 582336.9000 1109273.7000 77642.0000 519672.2000 425436.4000 718224.8000 248925.3000 290032.8000 582280.4000 6729317.3000 84453.9000 536348.7000 733436.3000 154212.6000 458332.9000 66360.4000 546257.0000 1245156.2000 387193.5000 3493886.2000 1376834.3000 147170.8000 1922976.1000 507965.3000 2820058.3000 608276.0000 377962.3000 761990.3000 454367.7000 2961652.7000 4223130.1000 318587.5000 594540.1000 2735745.3000 298244.6000 216383.7000 94878.3000 1950229.9000 42058.5000 287866.2000 3463298.9000 357003.8000 320400.3000 74995.6000 1306799.5000 409542.5000 372949.6000 217202.5000 565842.7000 4450510.2000 67262.9000 209263.4000 965238.5000 3687743.8000 446792.8000 147654.8000 504102.2000 4632475.4000 272709.6000 396579.5000 1844510.4000 1526721.1000 36671.3000 246939.0000 1935670.0000 2082016.9000 1137043.5000 35102.4000 783853.8000 349351.5000 403579.3000 124061.4000 2036899.2000 195429.2000 190575.4000 5095468.1000 327696.9000 199265.6000 285212.2000 356013.8000 2189978.8000 444325.6000 214352.2000 101102.5000 651711.4000 3801408.7000 521296.5000 1365182.3000 2549157.3000 468686.6000 2510052.1000 310785.8000 2147.9000 287228.7000 285701.2000 431758.8000 356688.5000 76748.4000 845494.3000 33953.3000 1226278.6000 373850.7000 77924.0000 1494766.3000 218229.5000 109351.9000 78703.0000 36921.1000 12289.0000 66496.9000 744572.5000 1385810.2000 451342.5000 284862.1000 92318.9000 323358.5000 546048.7000 539667.4000 467537.3000 400525.4000 955887.5000 860608.3000 416444.5000 144808.1000 71022.4000 505479.3000 61146.4000 187031.9000 393952.4000 272317.5000 519305.1000 227929.1000 770777.8000 722168.7000 263429.9000 Pyridoxal 950134.8000 1100316.8000 2876864.4000 1119493.7000 324281.6000 548129.5000 124062.7000 1239776.4000 8597132.4000 733977.9000 982251.0000 2835069.7000 770178.0000 994676.5000 701280.6000 1432013.9000 513634.0000 2143406.8000 634890.7000 1029783.4000 517253.4000 1078457.1000 662836.9000 593662.7000 4558392.7000 633852.8000 813222.0000 1277875.3000 442438.9000 312257.5000 741186.7000 2858766.1000 665001.1000 3208246.6000 1902306.7000 945277.6000 641614.5000 699652.7000 2441353.4000 690944.2000 2105452.9000 1271400.5000 824691.2000 435102.3000 2349190.7000 2630164.1000 1360134.3000 1056187.9000 662561.4000 521070.0000 1247790.5000 540175.6000 1846805.2000 1031464.5000 1665559.1000 91152.1000 718036.9000 1434634.9000 1614334.7000 749628.5000 1123376.5000 1565417.4000 2700493.6000 3351501.7000 1362373.1000 1889399.3000 1909008.8000 1040749.1000 1946392.8000 1593641.8000 710471.3000 1211748.2000 1945759.4000 916094.6000 627130.3000 2399719.0000 2497645.8000 908971.5000 2512844.0000 834438.7000 897083.8000 1675842.4000 1958597.7000 283906.7000 706320.4000 783849.0000 1830850.7000 1422494.1000 1210255.8000 1319707.2000 1059989.3000 903585.9000 1483370.2000 2343425.3000 3768291.2000 697365.9000 2860217.1000 2549512.0000 2571465.1000 3383925.0000 3665172.7000 628096.8000 930104.4000 1117127.3000 2935718.2000 262236.7000 403738.0000 334221.9000 1351805.2000 201735.3000 3636906.2000 1312288.0000 1165408.7000 1181043.7000 1159464.9000 1048668.6000 880877.0000 1165526.9000 634899.9000 831116.7000 2749339.3000 150857.1000 1491723.7000 1695223.1000 4935162.7000 945769.4000 447772.2000 785972.4000 2492716.8000 3156559.0000 970282.2000 846769.1000 3126351.6000 1070033.5000 1853945.5000 474551.3000 2306786.3000 2509184.8000 502626.1000 1324416.2000 1726181.0000 897819.9000 2548952.9000 640962.9000 2119757.8000 5012565.5000 547462.4000 424029.1000 324711.8000 318860.5000 344215.6000 347912.6000 356378.7000 110060.7000 125516.8000 1774.2000 581334.4000 902946.0000 764261.0000 336523.0000 470714.4000 78013.8000 189841.0000 Quinaldic acid 429892.8000 294842.7000 531171.4000 288125.6000 205289.5000 147328.8000 260201.4000 383353.9000 337067.8000 1310182.0000 1537818.2000 313073.9000 201550.5000 244706.3000 777039.3000 1112186.4000 747596.7000 1168785.5000 226312.6000 129881.3000 69447.9000 184050.9000 3041941.4000 258453.6000 316920.8000 360776.9000 34527.3000 215325.9000 414719.1000 118651.3000 83795.2000 270022.7000 287008.2000 403901.4000 289430.9000 191132.5000 212545.5000 851784.3000 1487190.4000 114062.2000 205512.2000 332325.1000 2102311.8000 802827.6000 235782.8000 1268938.8000 1014980.9000 1575391.6000 200095.4000 76373.8000 149126.9000 157655.6000 1169278.9000 1106125.2000 778196.0000 226388.2000 2766944.9000 1660254.1000 1232111.6000 422337.3000 446013.1000 443887.2000 258420.2000 865877.2000 1024771.6000 765609.1000 269862.7000 381546.2000 204001.6000 271856.0000 1309156.1000 794698.0000 314878.0000 272663.0000 322523.5000 684134.6000 118006.5000 303990.3000 460239.2000 203322.4000 184160.6000 578136.2000 620396.3000 62794.9000 238467.2000 243353.4000 539738.9000 302874.2000 303566.2000 478989.7000 255770.3000 325027.1000 1642246.9000 282006.3000 784781.1000 160839.6000 336915.9000 150432.6000 913505.8000 250367.8000 1845633.6000 2844024.6000 959082.6000 427105.1000 440856.8000 103379.6000 986508.2000 205035.8000 164663.9000 949127.2000 275020.5000 271152.3000 301474.5000 184516.0000 241445.6000 405781.8000 302898.9000 257349.2000 34540.0000 880612.4000 1184719.6000 857670.6000 1684106.2000 374520.1000 176815.1000 197720.8000 176101.0000 63576.6000 361700.9000 448067.6000 133181.6000 129856.4000 2174791.6000 239277.3000 141166.8000 915172.0000 176571.7000 69235.2000 27736.9000 166883.6000 180248.6000 106226.9000 104649.4000 197079.7000 203062.3000 214066.2000 193285.6000 291944.4000 202682.4000 314317.4000 175147.9000 188138.4000 115507.1000 324148.2000 344182.2000 91643.1000 248452.9000 308804.7000 270604.1000 126968.1000 193930.5000 233055.0000 446429.4000 331541.7000 Serotonin 2121646.8000 5214284.5000 3201463.6000 4288094.7000 944514.5000 4812191.5000 2225708.8000 6677228.0000 2904445.1000 2611548.6000 967818.3000 2122525.4000 1906927.6000 3578062.0000 4312839.7000 3812471.6000 2938834.9000 6072700.1000 1976874.0000 6439949.6000 2648891.4000 3748536.3000 517705.0000 3114185.9000 6886083.9000 3482912.3000 4882357.0000 5548631.6000 2132909.2000 1393003.5000 3974636.2000 1607076.0000 3610995.2000 2974280.2000 2674524.2000 341646.4000 3590563.1000 133386.0000 6046811.5000 9757452.6000 2130039.3000 3760178.4000 407761.5000 5155531.7000 4930838.1000 3193334.8000 2861774.1000 6567202.7000 3640046.8000 6927676.8000 3047207.8000 4952997.2000 2909542.6000 2044410.6000 2034401.4000 3184502.7000 5210994.3000 1158004.1000 9257683.2000 7346554.5000 3282865.2000 4282819.6000 3027251.0000 3385647.3000 3981338.6000 2093338.7000 1999485.9000 6607075.2000 61759377.7000 4156502.5000 421490.9000 2811487.5000 2074971.3000 5361432.3000 3084090.7000 3998046.5000 45584802.2000 2145500.7000 4619612.4000 2413519.6000 6469641.3000 2065887.9000 9248046.8000 2971586.1000 2325317.4000 5480248.2000 2488485.6000 8403645.7000 2804735.3000 4091729.9000 8733734.7000 115955354.3000 1341641.3000 1066136.3000 6366611.8000 3012443.9000 4212577.9000 136610.8000 2068947.2000 5179265.0000 51720817.5000 56205658.0000 49406362.8000 48775310.8000 53440986.7000 52182780.2000 88186606.9000 86993700.3000 82165566.2000 82172149.5000 75041720.0000 77423337.5000 79381715.1000 76361266.3000 79057612.9000 79157286.8000 79027968.2000 74327048.6000 54278610.7000 50477696.1000 64401953.6000 59003922.6000 60594570.3000 54687620.5000 71890717.0000 102735534.4000 37823774.8000 49670218.4000 61199316.9000 65372010.4000 62946694.0000 60328158.0000 50219415.9000 39636444.5000 Spermidine 13146313.1000 1299721.2000 4742940.5000 1414411.2000 2764205.2000 1227342.2000 2094908.7000 1519161.0000 18733020.7000 3500234.7000 1683408.7000 2561549.6000 1064303.6000 2379260.5000 3843465.4000 2178860.8000 2537762.4000 2079780.2000 2416734.2000 2220199.9000 1765432.2000 3312995.4000 2449939.3000 1222768.2000 4186576.6000 1998134.7000 1212395.7000 1858183.4000 3509594.7000 1702779.8000 4043114.2000 3415761.4000 1661923.8000 3118555.3000 3085543.2000 2210926.9000 1372269.0000 12001346.9000 1265477.7000 1769094.4000 2076392.5000 1488639.1000 2221279.9000 477113.0000 1585998.2000 1538708.9000 9378576.1000 2023313.5000 2210363.5000 215081.7000 682193.0000 1382379.3000 2025476.6000 2523960.2000 1134373.7000 2140920.1000 1331888.9000 1645506.6000 1830621.8000 2069464.5000 7631859.4000 2079061.0000 1908758.6000 672356.1000 1817134.1000 2057234.5000 1370993.3000 1689679.4000 1919312.3000 2044149.8000 470942.7000 2059017.0000 1417268.4000 553652.2000 2139526.8000 1382024.2000 2052562.0000 1280177.2000 1883066.1000 799939.3000 1768094.8000 4224782.3000 4804615.6000 5451533.6000 2357841.5000 2090054.9000 3607674.9000 1293105.3000 1587094.0000 4025754.3000 332194.7000 996464.9000 1409018.8000 2179855.0000 831907.4000 1184770.4000 1784500.1000 1719684.8000 2640828.2000 2359568.6000 1518205.5000 2874111.0000 2920196.7000 2119348.9000 849548.7000 377526.0000 5077677.7000 3631359.4000 1965013.5000 1757710.5000 1453522.2000 4088348.7000 2623454.3000 1704363.1000 1779568.6000 2551374.9000 1078110.2000 5731612.8000 1212553.8000 2468722.9000 2611726.8000 3647712.8000 1035997.0000 1182655.8000 1165519.0000 3856103.3000 2445296.7000 4014839.3000 1281716.8000 4004318.3000 13636110.1000 1700312.6000 2598617.1000 6621210.9000 3371639.4000 1548342.2000 755995.5000 2541107.7000 3111393.2000 1575118.2000 3187844.0000 2523230.1000 2444117.9000 183797.5000 190157.9000 147979.5000 559534.8000 770573.2000 405336.4000 9011.6000 506204.3000 401080.7000 364797.3000 349082.3000 324008.8000 256323.5000 271509.2000 456039.3000 682298.5000 1128650.2000 806205.9000 925312.7000 1188457.8000 914502.4000 1427190.6000 1304466.8000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 12-Hydroxydodecanoic acid 24.2 1-Methylhistidine 104.2 24-Dihydroxyacetophenone 26.7 2-Deoxyguanosine 5-monophosphate 189.3 3-Methoxytyramine 33.5 3-Sulfinoalanine 131.7 5-Hydroxylysine 142.8 Acetylcarnitine 68.3 Acetylglycine 41.1 Aminoadipic acid 88.1 Anserine 98.2 Arginine 109.4 Benzylamine 24.4 Cadaverine 79.3 Carnitine 76.6 Carnosine 103.7 Cinnamaldehyde 21.2 Citicoline 289 Citrulline 105.8 Cystathionine 196.2 Cystine 218.3 Cytidine 23-cyclic phosphate 111.2 Cytidine monophosphate 276.8 Glucosamine 95.2 Glutamic acid 94.4 Glycocholic acid 52 Histidine 112.9 Indoleacetic acid 44.2 Kynurenic acid 57.3 Lysine 113 Methyl jasmonate 31.3 N6N6N6-Trimethyl-L-lysine 103.8 N-Acetyl-L-aspartic acid 48.8 N-Acetylleucine 35.5 N-Acetyl-L-phenylalanine 43.2 N-Alpha-acetyllysine 89.4 Ornithine 119.5 Pantothenic acid 50.4 Phenylacetic acid 23.4 Phosphocreatine 123.9 Pyridoxal 46.3 Quinaldic acid 40.4 Serotonin 44.5 Spermidine 107.7 METABOLITES_END #END