#METABOLOMICS WORKBENCH kuppal2_20190529_085535 DATATRACK_ID:1736 STUDY_ID:ST001193 ANALYSIS_ID:AN001989 PROJECT_ID:PR000805 VERSION 1 CREATED_ON June 13, 2019, 1:49 pm #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 #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:TOTAL_SUBJECTS 147 ST:STUDY_COMMENTS Both CHEAR pooled plasma samples and Clinical Biomarker Laboratory pooled ST:STUDY_COMMENTS plasma samples were used #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 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 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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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-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-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-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-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-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-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 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-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-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-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-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-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-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-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-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-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-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-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-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 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 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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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 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 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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 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 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-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-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-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-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-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-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 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 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 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 #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, TR:TREATMENT_SUMMARY samples were thawed and prepared for HRM analysis using the standard protocols TR:TREATMENT_SUMMARY described 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 SP:SAMPLEPREP_SUMMARY with 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 C18 column is operated parallel to the HILIC column for simultaneous CH:CHROMATOGRAPHY_SUMMARY analytical separation and column flushing through the use of a dual head HPLC CH:CHROMATOGRAPHY_SUMMARY pump equipped with 10-port and 6- port switching valves. During operation of CH:CHROMATOGRAPHY_SUMMARY the "C18 method, the MS is operated in negative ion mode and 10 μL of CH:CHROMATOGRAPHY_SUMMARY sample is" injected onto the C18 column while the HILIC column is flushing CH:CHROMATOGRAPHY_SUMMARY with wash "solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, CH:CHROMATOGRAPHY_SUMMARY increased to 0.5" "mL/min at 2 min and held for 3 min. Solvent A is 100% CH:CHROMATOGRAPHY_SUMMARY LC-MS grade water, solvent" B is 100% LC-MS grade acetonitrile and solvent C CH:CHROMATOGRAPHY_SUMMARY is 10mM ammonium acetate in "LC-MS grade water. Initial mobile phase CH:CHROMATOGRAPHY_SUMMARY conditions are 60% A, 35% B, 5% C hold" "for 0.5 min, with linear gradient to CH:CHROMATOGRAPHY_SUMMARY 0% A, 95% B, 5% C at 1.5 min, hold for 3.5" "min, resulting in a total CH:CHROMATOGRAPHY_SUMMARY analytical run time of 5 min. During the flushing" "phase (HILIC analytical CH:CHROMATOGRAPHY_SUMMARY separation), the C18 column is equilibrated with a wash" "solution of 0% A, CH:CHROMATOGRAPHY_SUMMARY 95% B, 5% C until 2.5 min, followed by an equilibration" "solution of 60% A, CH:CHROMATOGRAPHY_SUMMARY 35% B, 5% C for 2.5 min." CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap CH:COLUMN_NAME "Higgins endcapped C18 stainless steel column. 2.1mm x 50mm x 3µm particle size," "Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product" #17126-014005 CH:COLUMN_NAME size," "Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, CH:COLUMN_NAME Product" #17126-014005 CH:FLOW_RATE 0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min CH:COLUMN_TEMPERATURE 60C CH:METHODS_FILENAME 20160920_negC18120kres5min_ESI_HILICposwash.meth CH:SOLVENT_A LC-MS grade water CH:SOLVENT_B LC-MS grade acetonitrile CH:METHODS_ID 10mM ammonium acetate in LC-MS grade water CH:SAMPLE_INJECTION 10 uL CH:ANALYTICAL_TIME 5 min CH:SAMPLE_LOOP_SIZE 15 uL CH:SAMPLE_SYRINGE_SIZE 100 uL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Clinical Biomarkers Laboratory AN:OPERATOR_NAME Vilinh Tran AN:DETECTOR_TYPE Orbitrap AN:SOFTWARE_VERSION Xcalibur 3.0.63 AN:ACQUISITION_DATE 4/15/19-4/19/19 AN:ANALYSIS_PROTOCOL_FILE EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf AN:DATA_FORMAT Profile #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS NA MS:ACQUISITION_DATE 4/15/19-4/19/19 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 -4000 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_AN001989_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 NIST SRM 1950_1a Q-Std Plasma pool_1a_1 chearplasma_1a_1 chearplasma_1b_1 C-1GUX4-CB-00_1 C-1GVV8-CB-00_1 C-1GVR7-CB-00_1 C-1GV27-CB-00_1 C-1GY57-CB-00_1 C-1H1Q4-CB-00_1 C-1GV01-CB-00_1 C-1GYL7-CB-00_1 C-1H270-CB-00_1 C-1H5X4-CB-00_1 C-1GVU0-CB-00_1 C-1H320-CB-00_1 C-1H098-CB-00_1 C-1H6J4-CB-00_1 C-1H0U6-CB-00_1 C-1H5V9-CB-00_1 C-1H726-CB-00_1 C-1H007-CB-00_1 C-1H239-CB-00_1 C-1GZB8-CB-00_1 chearplasma_1c_1 chearplasma_1d_1 C-1GZ56-CB-00_1 C-1GU28-CB-00_1 C-1H0G7-CB-00_1 C-1GWP0-CB-00_1 C-1H7B1-CB-00_1 C-1GYN2-CB-00_1 C-1H8R5-CB-00_1 C-1GUQ0-CB-00_1 C-1H0T8-CB-00_1 C-1GUM9-CB-00_1 C-1H2N9-CB-00_1 C-1GYF0-CB-00_1 C-1H5D8-CB-00_1 C-1GVK2-CB-00_1 C-1H7F2-CB-00_1 C-1GZV4-CB-00_1 C-1GWY0-CB-00_1 C-1H858-CB-00_1 C-1GYX0-CB-00_1 C-1H5W7-CB-00_1 chearplasma_1e_1 chearplasma_1f_1 Q-Std Plasma pool_1b_1 Q-Std Plasma pool_2a_1 chearplasma_2a_1 chearplasma_2b_1 C-1GXY9-CB-00_1 C-1GUH0-CB-00_1 C-1H478-CB-00_1 C-1GXJ2-CB-00_1 C-1H544-CB-00_1 C-1H1M3-CB-00_1 C-1GY99-CB-00_1 C-1H023-CB-00_1 C-1H6B2-CB-00_1 C-1GYM5-CB-00_1 C-1GXR5-CB-00_1 C-1GWT1-CB-00_1 C-1H6T2-CB-00_1 C-1H1D2-CB-00_1 C-1GYQ6-CB-00_1 C-1GZC6-CB-00_1 C-1GVY1-CB-00_1 C-1H8K0-CB-00_1 C-1H2B6-CB-00_1 C-1H1B7-CB-00_1 chearplasma_2c_1 chearplasma_2d_1 C-1GZ64-CB-00_1 C-1H734-CB-00_1 C-1GW26-CB-00_1 C-1GZA0-CB-00_1 C-1H4S6-CB-00_1 C-1GZY7-CB-00_1 C-1H2U4-CB-00_1 C-1H7S3-CB-00_1 C-1GWQ8-CB-00_1 C-1H6D7-CB-00_1 C-1H7Y0-CB-00_1 C-1GV68-CB-00_1 C-1H2V2-CB-00_1 C-1GYT9-CB-00_1 C-1H1U5-CB-00_1 C-1H171-CB-00_1 C-1H031-CB-00_1 C-1GZU6-CB-00_1 C-1H2C4-CB-00_1 C-1GYY8-CB-00_1 chearplasma_2e_1 chearplasma_2f_1 Q-Std Plasma pool_2b_1 Q-Std Plasma pool_3a_1 chearplasma_3a_1 chearplasma_3b_1 C-1H064-CB-00_1 C-1H3Q2-CB-00_1 C-1H6W6-CB-00_1 C-1H6F3-CB-00_1 C-1GV19-CB-00_1 C-1H3L3-CB-00_1 C-1H6H9-CB-00_1 C-1GWD6-CB-00_1 C-1H585-CB-00_1 C-1GW67-CB-00_1 C-1H5S5-CB-00_1 C-1H1H4-CB-00_1 C-1H2L4-CB-00_1 C-1H5Q0-CB-00_1 C-1GU77-CB-00_1 C-1GU44-CB-00_1 C-1H130-CB-00_1 C-1GV50-CB-00_1 C-1H6G1-CB-00_1 C-1GW59-CB-00_1 chearplasma_3c_1 chearplasma_3d_1 C-1GWG0-CB-00_1 C-1H650-CB-00_1 C-1H2W0-CB-00_1 C-1GX25-CB-00_1 C-1H114-CB-00_1 C-1GZG7-CB-00_1 C-1H2X7-CB-00_1 C-1H0Q5-CB-00_1 C-1H1L5-CB-00_1 C-1H7P0-CB-00_1 C-1GUA5-CB-00_1 C-1GWS3-CB-00_1 C-1GWA3-CB-00_1 C-1H3J7-CB-00_1 C-1GVW6-CB-00_1 C-1H8E3-CB-00_1 C-1H4X5-CB-00_1 C-1H783-CB-00_1 C-1H4N7-CB-00_1 C-1GUR8-CB-00_1 chearplasma_3e_1 chearplasma_3f_1 Q-Std Plasma pool_3b_1 Q-Std Plasma pool_4a_1 chearplasma_4a_1 chearplasma_4b_1 C-1GYE2-CB-00_1 C-1GX09-CB-00_1 C-1H8L8-CB-00_1 C-1GZ15-CB-00_1 C-1H3N8-CB-00_1 C-1H452-CB-00_1 C-1H890-CB-00_1 C-1GYU7-CB-00_1 C-1H0W2-CB-00_1 C-1H6U0-CB-00_1 C-1GYD4-CB-00_1 C-1GY73-CB-00_1 C-1GXS2-CB-00_1 C-1H7K1-CB-00_1 C-1GYJ1-CB-00_1 C-1GZ72-CB-00_1 C-1GZR3-CB-00_1 C-1GX74-CB-00_1 C-1H627-CB-00_1 C-1H2A8-CB-00_1 chearplasma_4c_1 chearplasma_4d_1 C-1H7X2-CB-00_1 C-1GTW8-CB-00_1 C-1GZQ5-CB-00_1 C-1GX82-CB-00_1 C-1H5A5-CB-00_1 C-1GUC1-CB-00_1 C-1H619-CB-00_1 chearplasma_4e_1 chearplasma_4f_1 Q-Std Plasma pool_4b_1 NIST SRM 1950_2b Factors Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Cord blood Plasma:Plasma Plasma:Plasma Plasma:Plasma Plasma:Plasma Hydroxypyruvic acid 786917.3 426361.3 538901.4 747554.5 622302.6 424295 469851.4 127333.4 890670.7 454825.5 829433.1 349902.6 395927 599165.6 404827.9 311091.6 406042.1 498800.5 372653.6 2637016.3 362338.9 510827.7 529849.9 557860.3 727345.8 704376.4 881265.2 642303.6 479272 435951.3 595647.1 650198.9 524149.2 5953395.5 382248.1 446296.3 385609.6 323245.3 515668.1 411142.8 424474.1 550087.1 842365.1 524028 1585559.6 1563573.4 758597.5 709153.6 423177.1 380113.3 774533.5 832852.2 403928.2 286739.3 219331.7 364153.1 296224.6 290555.4 451082.9 868839.5 482020.7 241624.8 165383.9 2455785.3 180673.8 1222410.5 424052.5 691246.2 1128991.7 1576704.2 355865.7 330103.7 737739.6 672300.6 459754.1 460818.2 480747.3 220066 219040.1 701878.6 494650.8 631927.4 275776.4 1050140 2709113.6 5038668.8 363233.6 600597.6 438953.7 1191128 713769.4 3083615.5 399778.3 428156.8 779629.6 430067.3 286120.5 325588.5 623784 888313.8 296528.8 140302.8 190366.4 597769.9 174237.1 282971 322811.5 617951.8 477403 73439.7 405364.1 2295152.3 784780.5 1768731.5 664474 54389.5 906658.5 307849.4 336009 269931 489989.5 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7057780.9 3662481.2 4843743 3930239 3433748.1 3503687.7 3288866.4 3698406.7 3657756.6 3518914.2 3599018.3 3671347.1 4194668.1 2663219.8 3333863 4112868.6 2667895.8 2711161.9 3015350 4102193.8 2644613.2 2594530.3 1409415.9 3598186.8 3285194.8 3328774 3796115.8 2541623.4 702561 1251421.5 2719525.7 1149606.1 2477547.7 984433.1 2722295.6 2786274.1 1066402.7 1897394.5 2995458.3 1025879.5 3608405.3 1429029.5 3204000 896613.1 2953498.9 3037865.9 3052166.4 5777789.4 4132538.7 2637960 2116321.2 2645448.7 2627816.2 5010843.4 2501830.9 3161430.4 3582121.1 4046893.1 1346664.7 2131835 3040395.1 1113605.4 2974462.7 1638595.7 2041247.5 14618120.6 528391.4 1699618.7 1397966.5 1739438.2 5978616.5 2616805.3 2544991 2235392.2 2887909.5 2152439.7 2072074.6 1918372.5 1770847.8 2686381.7 2719121.7 2551639.8 4675180.5 2126183.3 Acetylglycine 4328736.3 1462108.9 2963768.6 3061225.5 3846804 3147529.6 3009364 2904990.2 6879553.3 6658073.5 4161504.7 7941893.7 841713.6 3457397.8 3109410 5019062.9 4032669.3 2722710.4 2020666.9 3752850 3043525.7 2770523.3 2919167.9 350186.2 2270816.2 2336374 2762476.1 2879568.8 3412104 6331864.2 4719311.3 2411825.9 5217087.4 5865240 3083043.1 4633093.9 3540600.4 8109326.9 3033081.8 3247284.9 3765700.7 1226822.9 2825754.6 4193318.1 5136015.7 3223479.7 3386302.7 2977208.2 578783.7 2155114.8 2974596.8 3364757.5 3811379.4 295876 5313920.5 4716468 1084529.4 3105816.9 4145328.5 9201500.6 4444875.6 4037782.5 3802465.5 5862189.5 5478740.2 3780597.8 4098179.6 4846846.5 3464661 3576158.7 2896592.4 5555385.9 2869163.7 2919217.8 3500313.1 2783091.5 5802817.5 5669768.7 1788886.6 2608375.3 3668217.1 2330598.6 6538752 3326723.9 2334564.8 3582565.7 1106575.1 2401446.2 4486855.3 2663846.1 3171646.2 633972.6 1477766.6 3712170.9 2913522.6 2513040.1 1441012.2 1367259.3 2953189.1 2591247.4 3408599.7 6606593 3122550.5 2430002.6 4695595 3175798.1 8026240.1 3824704.4 4770426.1 5858570.6 2967346.5 4286487.2 2024694.8 3222874.2 6503994.2 6185613 4394323.1 3030399.4 3505727.7 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3468858.8 4026339.6 4250636.5 3002771.7 7243597 4711917 3425848 2373107.7 4360633.3 567858.9 782230.6 2370456.5 5250595.5 5367628.1 6385530 3239107.2 1618446.2 2898371.6 0 1957256.1 0 3893929.9 0 0 3569974.4 0 0 4664199.7 0 3138697.7 3592994 0 4782265.6 3429937 2860700.3 3374285.5 6733168.9 3089981.2 2583863.9 2525501.4 0 1671122.6 2517940.2 3696777 7283073.6 1896200.2 0 5557750.9 5728284.3 2300998.6 2345563.1 2310308.1 0 3181264.8 Ribose 10625158.1 8299574.8 8872157 8929303.4 12356648.7 10434687.5 9568839 7146550.7 8779385.9 11297419.9 10961914.8 12640161.6 9860087.3 8801274.2 10465368.1 20334524.6 12065538.3 6760236.2 7615693.7 8264601.9 6436211.1 10319899.3 4880115.4 9520163.2 9393804.1 8994717.1 11996014.9 11342106.7 8301496 12123461.7 12470233.8 9423318.1 8247838.1 21170085 11051106.5 8551414.9 8438194.7 10303058 11484525.7 8906208.4 7587201.6 8550123.2 7388715.6 8026753.9 12671561.8 11679874.9 9824734.5 9484404.4 10049011.4 9155534.5 11010894.1 11479463.2 11514767.4 5252919.6 8954768.3 6560428.6 9559465.8 8124156.3 11635570.7 20528475.8 9579586.8 4713055.1 10568672.5 9899406.6 13021347.5 8476077.5 11336809.7 17939474.8 9609512.9 10013499.8 8603750.9 10153503.3 9108795.9 9576371.4 9634036.8 12225092.8 9712073 12674631.9 14909076.5 9207990.8 8939207 9610288.3 6791542 7408657 8423967.5 7600923.8 8709016.6 8036211.8 6640851.3 9778075.4 8706993.4 8286776.3 8190206.4 8466808.3 8191919.6 8920404.1 8978043.4 10567905.3 11726638.6 10628622.8 13036689.6 8929668.6 10866053.6 9704627.8 9940953.2 6885262.7 7850633.5 6462779.7 8442603.5 14624256.9 7437111.6 9257448.1 6630766.4 18046539.5 11058698.6 11008704.1 8373349.8 7702360.7 9538361.7 10376001.9 13441891.1 11342567.6 9986183.7 7614094.9 7346294 17003300.6 8747421.1 9434060.6 11620730.5 7162703.9 6557763.1 10584399.7 7909658.7 8285528.8 7627413.7 8513403.1 8792215.4 7898898.8 7605396.7 8841772.2 6967109.2 13092500.9 12285362.9 10373656.2 7734279.5 11519602 10412879.7 10584842.6 22029942.2 8726692.1 9269734.3 7318262.4 9403768.5 9846799.3 10925477.3 8486275.1 12573588 11113132.2 6807625.5 11182718.7 7059308.1 8350394.2 7495542.3 7507823 6809405.8 7430822.9 10744895 8120524.2 10289607.3 9776721.4 12262965.5 14093452.3 7743741.1 7468769.3 8480758.9 9366391.4 8104608.3 10458236.6 10078044.2 9803407.3 11742794.6 24-Dihydroxyacetophenone 5217221.3 690763.2 1070054 896950.8 38074001.9 3011348.2 8691206.7 5420692 15285440.3 54211832.1 4547031.4 53439357.6 765519.9 3982109.3 5574547.3 21188180.7 3163894.9 2353021.4 796807.6 4188953.2 1106468 15030926.2 1437760.5 108539727.9 1085685 1104432.9 1593896 20030950.9 3306304.8 39474238.8 45865363.4 2338209.9 7911662.4 3314652.7 5837192.8 1211717.9 12706996.2 4025250.1 2732060 47022900.3 7635849.7 90686625 20125741.4 2014620 1181153.6 53106220.7 952204.1 1487069.7 1491046.7 2905480.9 3099995.4 2320362.4 28641230 3230872.3 14488641.4 4210052.4 11070091.8 1631306.7 20925146.4 3228246.4 4610329 10738641.5 93033523.3 4776046.9 7484883.9 5369875 5588863.7 89421377 6455949.6 34396024.5 1226682.6 779724.1 2166655 2624880.1 2223117 5898534.8 8293776 34997187.7 16556591 4891053 82356903.8 25505026.5 2823586.2 1577567.8 6108599.1 2268428.8 53393822.3 4976311.8 5622858 3195844.8 62262674.8 3568717.3 2712422.2 8191396.3 2923058.5 2719770.9 3383162.2 2180617.7 2695063.1 2046814.9 17788437.9 12549032.5 11396363.7 4753968.2 1774517.6 5828988.4 22315730.7 12746268.6 6287149.1 27301898 3043044.4 5816763.4 4365839.7 68303230.6 7109392 4441461.4 11436454.6 4267500.5 9571069 5256496.3 2587119.1 2325890 3974631.3 3573668.8 7450820.8 9708498.5 49891128 7988696.7 23398204 3161522.5 5577050.5 13013772.4 2714593.9 3356179 3023245.6 5717931.8 7282105.1 58148109.3 13235751.1 78044207.4 123414769.9 42967867.8 3090696.3 3174825.2 3568850.6 4699655.1 3716875.1 3191887.7 9228169.2 7985441.6 8386899 7548882.7 20086545.5 3808425 13750124.5 6418642.1 10657014.3 14631800.5 17608072 3714379.2 5424511.1 9137923 82024245.7 6186562.1 68030684 9616103.8 83828391.3 9354665.7 4061354.2 4582952.1 13558948.3 7688737.8 9950893.1 29886931.4 3980284 7604565.3 5536474.6 4832767.9 4119069.8 4640919.8 13573738.2 Histidine 33200043.1 43570871.5 31877570.9 31971229.5 63037481.4 65311621.9 69993938.5 62942559.1 67448883.3 79742864 64487357 75858493.6 56748854.7 75128831.9 60023051 56958093.3 56709582.9 60925281.2 66983866.1 66692603.2 68148203.8 53936857.4 97533420.2 46778756 31243147.8 30881289.5 62247337.2 63127848.5 66674663.8 68055766 63570535 65416942.7 58554929.4 63002366 64811768.9 51539605.7 75377252.9 59218106.5 73781866.3 73703914.1 96860448.3 49315334.4 58857227.1 67893181.5 55729515.4 77403864.5 33722544 32042331.3 54948185.3 49893018.7 31982886.2 31906591.8 55741159.1 53030965.3 73237468.1 57359201 51279619.7 61506344.6 67327268.6 71539334 58209306.7 75710586.4 53422616.7 65874488.1 61625344.8 66007831.3 55970435 45893462.4 72871069.9 98426415.2 60207464.1 72153153.1 30744518.7 29759135.4 60256866.9 67184922.1 95752733 71991205.5 62734302 66563170.7 64731344.5 58803823 58795735.9 50144123.2 56082475.1 71572125.8 51373175.8 51062895.9 59829042.8 69827414.6 60792517.4 56724185.4 78931032.6 75143054.9 30793257.6 28073833.2 49287738.9 53422733.8 32499801.4 31236739.8 64819636.8 72184467.1 62177894.8 69120667.7 48947025.4 63723929.7 48134313 53095978.6 73412927.6 68966982.8 54310739 60663156.3 59722143.3 76659629.3 61287369.3 80737768.4 57186029.9 62238257.3 57028914.9 55384723.3 35307918.2 34312870.1 55303535.4 63721877.8 52378938.7 85959161.8 65726720.3 44063299.3 64177013.8 55585237.7 78954010.6 83725572.9 59254773.4 45403903.2 58221846.4 77480841.9 58137983.4 64737699.4 102481565.7 57628827.1 49843756.5 74067869.2 32683020.9 32454286.9 52504865.7 56385286.9 38740553.2 37017146.5 86440554.8 67775646.5 62585530.4 61610637.6 62924245.5 87661253.3 88477607.4 60683132.5 70329770.2 57710416.2 77384441.3 82674715.9 63986390.2 56549044.9 60588413.2 61637104.2 60678820.5 57267622.1 42567599.4 58930222.5 35090643.8 34660933.7 74732031.4 59690862.7 51266559.9 57275034.4 70010026.9 56241492.4 76620094.9 36048669.6 36814055.2 52819162.2 37663413.1 Indoleacetaldehyde 20852761.2 10282730 5570450.1 5357697.3 6799612.1 15171995.3 11376761.6 6881816.2 9187239.5 7200309.4 9358025.3 9041039.8 7594304.4 7599577.1 6136222.2 9387703.1 8473122.4 7078924 11660125 7590498.2 7470680.3 12061450.6 10151286.4 6395776.5 6073305.4 6412619.7 5411175.1 8880111.5 5947762.8 5780884.5 7409027.6 8377216.4 7985558.1 9826054.1 9692086.8 9416464.7 7345739.9 10870342.2 6437844.7 7308307 7508683.2 9607864.7 6505350.8 11512377.7 8219608.5 11412297.6 6008488.4 5842682.7 6286759.9 8070680.2 5949502.7 6104094.9 7225115.7 8594342.5 8582072 9086163.6 11047558.9 6765624.4 6195989.3 5379434.8 6286941.2 7311999.5 5443851 8440820.9 6214650.4 8512996.5 6920131.4 5241364.4 6042623.3 6561882.4 11425939.5 9218896.6 6101029.5 6373828.6 7853500.2 5757493.3 7478936.2 11425490.2 8272625.1 4208932 7451742.5 8041161.4 8781030.1 10333527.9 12315533.3 9648498.6 15686120.1 14675031.6 13091771.6 15800682.5 9488724.6 20035844.5 12269627.2 5404171.7 7725771.4 7474622.8 8835230.9 5882330.4 5934141.5 5498725.2 12798013.1 5228468.1 8392839.9 11005868.2 3953884.6 7282728.4 8804201.2 6248065.9 4956098.7 7438503.8 4962272.2 8030787.1 7042771 6598477.3 7414878.9 9438732 9447413.6 5805294 5789553.8 8885830 5792617.9 5732512.4 6379384.9 5727153.1 7930695.8 5778852.3 9038683.2 5804976.8 10158932.5 16838715.7 8789770.9 6117265.2 7749159.6 11916046.6 12387945.7 17092742 13594940.2 8821802.1 10058538 9505020.7 14954110.3 6469406.1 11072479.5 8984761.9 12539010.3 6385813 4787634.4 4670603.8 9436823.9 6407774.3 8280031.4 10514985.8 12081333.6 8804742.3 10679755.8 7691808.9 8739065.6 7598495.3 4695853.9 5287044.7 2269258.4 11019208.8 12124244.1 12008544.6 13380543.8 13416260.9 11453684.4 11704187.5 6759125.6 8214402.2 11163811.4 7764191.7 10162018.8 8969998 9452030.9 16628782.8 11997361.6 6023041.5 6345497.4 5700537.5 13846244.4 Aminoadipic acid 2158869.8 2016089 3078370.9 1533311 5642842.7 3590752.1 5652952 3639037.7 5427825.4 5533887 5589153.7 5134715.5 3321325.9 6847196.8 6230653.6 4225116.1 4478245.5 2892032.1 3033605.1 3449600 4699885.3 5531270.2 3195956.3 3301620.6 3083098.6 1631996 4747548.1 4673245.1 3960891.3 4594128.6 5893294 3505195.1 4837254.8 9692373.3 4625734.2 4264868.3 4320861.7 4755668.2 5351363.3 4589443.3 3772347.2 3663580.2 3860316.1 4324321.1 6533487.9 4763926.1 3558743.5 3112567.8 2428995.3 3791977.2 1963908.3 2333361.7 3855531.8 4046286.7 4491030.6 3793287.7 1947210.2 5688650.9 3735440.7 5002271.8 5653688.9 5191827.7 5221294.4 5179645.7 6532032.7 4793454.6 3524668.5 9818859.8 4916832.7 3460761 4199228.1 5300690.2 2422849.2 2318901.8 4442566.4 6478128.1 4706698.6 5863981.8 5571047.9 4740829.4 4183981 4012735.1 4631203.3 3717343.1 2779187.6 5510524.1 3380814 3350554.8 3382992.2 4002523.2 4235858.8 2730368.5 3407070.9 4688387.5 1653934.2 1952557.4 3285063.3 3006498 2294063 1699408.9 4665526.3 4210591.7 5529771.6 3769396.3 4715590.5 3365953.6 4858110.4 3604100.3 6347009.6 5577331 4008712 5767671.2 4713036.1 3978202.1 4146407.2 6351255.7 4151183.3 4566783.3 5847714.1 6133846.9 2356782.9 3404733.7 3971397.5 3538704.6 4316565.9 11378965.6 4105347.2 4061626.2 3358732.9 4297626.2 3668070.5 3927617.3 4163977.4 4050456.2 3879860.4 3418463.4 4667196.8 3715777.7 3877520.4 4711118.5 3056278.1 4316272.3 3138108.8 2244682 3381871.1 3978131.6 2616928.5 2677630.8 5374288 4161724.9 5402614.7 5047656.3 5451394.8 6846647.7 5487599.6 3871374.7 6668405.3 4945303.8 8704130.4 6277809.8 4344281 4051602.8 3525899.3 3835813.4 3509950.4 3912279.4 4912697.1 3601067.1 2084941.6 2153632.5 3478158.4 4919293.8 3667950 3554763.8 5098163.8 4801881 3529618.1 1977703 2488047.8 3373293.6 2403224.8 Fucose 2360389.2 1501529.2 1740562 1311479.2 679378.5 1641497.4 1465914.3 1111579.2 1151377 210596.5 799430.2 663201.9 17189.5 2630249 1051351.6 2549563.4 2252115.8 1558159.5 1524729 2521562.1 630915.7 531002.5 449211.2 1066890.3 1091732.9 1401898.1 1454117.8 1659799.4 2649451.7 879970.7 1546500.1 2619467.6 1376973.9 995620.9 1194281.4 1145101.5 0 563227.6 3250291.5 1355518.9 828857.9 782996.5 1359632.7 347634.8 1680843.1 1024197.8 1674184.7 1335142.4 2094890.3 1287321.2 1203108.8 1065912.1 1334127.8 681145.5 1221987.3 610110.4 563227.2 1071348.5 1679860.9 2926524.5 657270.1 724535.3 1122840.3 609405.9 678240.3 1130327.9 1040618.8 4116582.4 1493301 2479348.2 641640.9 1878492.8 2698867.4 2201030.7 931865.5 774229.1 1490627.4 2348264.4 2376067.3 672467 497332.1 954895.8 647495.3 818474.7 875521.8 2148262.4 493053.2 1014496.8 621466.1 854163.4 1335827.6 793821 806400.1 1551628.2 1552184.9 2151518.9 2607041.3 1998036.9 1146246.8 1553055.2 2267655.8 2682216.6 3420502.3 861039.2 976458.3 3195371.3 1916587.3 921946.3 1066188.3 694439 667768.1 531226.2 837022.1 699850 1480135.2 751687.6 1076381.2 558060.5 1173518.6 690451.7 1392593.1 2827777.9 1003049.8 686792.1 1612110.7 1767024.6 1559682.1 643266.6 2337669.4 588202.7 854525.5 757583 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24753401.5 18079511.8 15471249 12350316.6 17520489.9 12916733.8 10764586.6 24764514 15749793.8 17150748 16217940.7 26257290.2 48008643.8 14364199.4 10241108.9 5418120.9 30638852.5 22944618.6 33136999.4 23757295.3 36050776.2 30905887.8 23404926.6 42334467.8 23295244.4 28096462.5 27151345 19540707 13977966.6 10497462.9 18147829.7 14439011.7 12425680.7 28319518.9 27438107.2 38131184.9 20313075.8 22908317.6 35355000.5 28263425.8 13753896.1 29167744.7 12452545.2 15172276.3 22127517 7976745.9 8544178.2 13723271.1 12972278.3 16383036.9 0 14773540.5 32255645.5 9530790.4 8777391.4 11015669.1 17245351.6 12029598.7 11192919.6 24392674.2 27376062.4 12122673.4 16361525.4 20011064 26114958 30722413.2 22152023.6 41540291.8 28166299.3 32041894.7 54697203.7 28934182.4 20044648.4 24442977.1 30967940.1 23560181.2 30995054.1 26264560.4 28161169.2 16763021.1 14719979.5 22454647.7 25701939 28756288.4 42040478.1 24989206.2 29058363.1 15444887.2 14696747.9 16529617.5 30558242.9 18744658.7 11922144.6 16559648.2 10530342.4 15677169.6 11642612.8 12076264.9 16600732.5 15545606.7 53506526.3 14391935.4 13260439.7 11994782.7 20595496.8 14659217.6 14431295.6 20209186.1 29591936.5 20404729.9 30065456.8 20500830.7 30171981.4 47975160.7 24416367.1 26045778.4 25068412.3 44084440.6 46491953.6 27339499.1 20671246.8 14393893.7 19006159.9 10272482.2 32032877.9 18980206 19259924.3 8743302.7 7161149.4 15203733.8 18927973 17186089 15739436.8 22238250.3 19758877.6 20010654.1 10918909.7 9937543.8 18798994 0 Glycocholic acid 0 2991295.6 1186413.4 1140221.8 3112963.1 2588794.6 4028181.5 3825849.4 1295249.3 2437672.9 3317864.6 8888160.3 3030909.1 395504.8 2548143.7 16398352.3 11664794.4 2670959.5 9654861.5 2832491.5 2276857.3 963735.4 12946411.3 1428924.4 1059810.6 1390384.3 1861732 2392605.4 7910802.6 9244300.4 5206059.2 4811418.2 2419971.4 10150893.3 1929863.2 2863592.8 2384966.4 3528934 7499670.3 6275973.7 911896.3 4377579.9 6661035.1 1810013.7 1397395.3 2385327.5 1118153 835368.8 4472378.3 4364912.7 1642706.6 2205297.3 420516.6 3615608.8 4476164.3 1288298 634275.4 3343377.1 2079080.4 783592.8 3356913.7 4482430.1 6842852.2 4348130.1 4105817.2 3977783 6220797.9 7842069 3464880.2 15111185.6 185925.6 2332908 591724.9 567469.9 3579958 7282248.6 4553525.9 4456021.1 2625004.5 4876671.1 426796.8 627165.5 1267763.2 7301688.3 2294800.2 2263880.5 5441904.4 7721320.1 3696597.8 6076543.8 1671146.1 5791351.3 7700229.8 15292543.9 2113112.6 127957.4 1991879.3 3865745.1 1805331.6 2180230.6 15685072.7 1422027.8 2796350 11106737.2 6684257.3 16876137.8 2094596.5 3601812.3 2257662.6 7246333.1 2457953.8 4823188.7 2999556.9 2845822.7 4137191.6 1115060.2 2345373.5 1213037.7 1637974.3 3753109.4 1732420.1 1945364.6 2226838.1 5560056.7 1695521.4 3422661.7 2371908.9 0 2588124.4 6399010.4 0 13533432.7 3616458.9 7560961.6 1714870.3 1352927 3772565.7 1945083.6 2586323.6 2684433.4 5927123 0 1885383.3 2010604.4 4400606.2 5318417.5 1938254.9 1916441.8 7049543.4 6133425.9 1608395.7 8774844.6 3314707.9 3255951 949750.9 5030169.1 1026290.1 2576782.5 5360392.7 2216869.3 3205241.6 1738807.5 3240038.3 16004830.8 1819460.9 3121418.7 6927408.8 3514669.6 1969152.6 1803250.3 3036795.6 12524781.3 761944.5 3054515.6 4391780.3 4647893.5 2270405.6 1895277.6 1434226 4496908.9 0 Adenosine triphosphate 0 0 0 0 2380160.6 2151448.2 726078.9 3397672.3 26708504.4 1727586.2 2777519.3 2468285.7 1378831.3 3310966.9 1924034.3 380829.8 287042.2 572563.2 308224.5 226192.2 488216.4 77732.6 208600.9 282349.5 0 0 342648.7 172538.6 334697.6 628063 278485.4 2568579.5 504728.1 0 146758.3 814332.1 170175 205614.4 76540.7 6113684.8 3139396.8 1692748 1308920.9 750820.6 174196.9 129243.4 463842.6 0 0 0 0 0 0 0 0 0 0 0 961815 2307310.3 1201770.9 20009.9 9482098.6 1254689.7 5441338.4 0 9794.3 20144604.3 1148051.4 908211.9 209943 361614.1 0 0 914347.5 3449324.3 2943501.3 1262748.3 1163121.6 2305830.8 992108.7 0 1254836.2 0 0 0 0 0 4403.2 0 0 244931.2 520952.3 692197.8 0 144770.6 0 0 0 0 0 1830880.7 0 0 0 3318326.7 803078.9 0 2294376 6043876.5 1809678.8 1549601.4 3052437.5 330453.7 5140726.1 976010 2435376.2 9615410.8 4251112.6 689642 0 0 9818.1 0 2616895.9 2109711.8 667307.9 8398.7 197366.5 895357.3 0 8300296.8 531363.4 121428.6 1678558.5 0 0 0 0 0 0 1478493.9 0 0 0 0 0 0 263479.1 256528.1 0 1381794.8 1280558.6 1846104.9 3062982.8 304064.4 222483.1 287995.2 1109989.9 545631.8 330621.6 7592869.7 324014.1 649314.2 398028.1 916262.2 114069.8 332355 0 0 203103 16987517 454929.5 973082.7 1241722.6 0 195878.6 0 0 0 0 Biliverdin 779880.2 0 1337116.3 498504.7 4317180.3 6983611.2 6031642.6 4430160.9 2793588.8 4356743.7 5821452.2 4247270 3619195.5 4687637.2 5567933.3 3303907.2 7579363.4 3823462 3852413.2 3852617.5 2799562.3 5356348.3 4188932.4 5771677.5 805571.4 179527.4 3552850.5 5441191.4 5892593.7 3452776.5 3770510.5 4293530.2 4840379.9 494901.8 2583644.7 3124225 5262453.3 3057337.9 5445297.8 2971291.2 3761959.9 6475516.6 5993668 4965965.7 5924005 4450151.8 662443.7 1480594 374905.4 699811.1 241442.5 627595.5 3927204.6 5991724.4 2832909.3 4250739.1 3816103.8 4870854.2 4657946.9 3825289.1 4515569.2 4817418.1 4679017.2 3017432.3 9719201.7 2358531.3 3989343.7 4629531.8 4541269.2 3471531.9 4364412.3 4261350.9 738195.7 654893.7 4302552.9 7731038.2 6577020.9 4054251.1 3255679.8 4061897.9 4466430.1 4577867.5 7187456.9 4185400.6 5120019.4 4242068 4387292 4553015.3 4423426.3 4075556.6 4941906.6 3416803.3 3469750.4 6482698.1 334899 263760.8 749362.1 633546.1 227372.1 307970.1 4589237.5 5186332 8143772.9 4691854.4 3754812.3 2880215 5980406 3561688.3 3605300.2 5034974.6 4706299.6 4161649.5 5794691.9 4460884.6 4140518 4630757.5 5120105.6 4612527.5 4216199.3 5398318.6 201459 557344.9 3466396.3 4179442.5 3885748.5 2878172.2 4617343.9 3708919.1 4792833.7 5944816 4773283.4 4108441.5 4733942.4 5829648.4 4825005.3 2738537.6 6327669.3 4879768 4924915.1 7645545.3 3620508.9 6677062.4 407553.4 427450.6 494283 1464832.2 948076.1 1158607.9 5673847 6221785.1 4827987.7 5072324.7 4781253.2 7645873.3 5418515.7 3687692.3 5471252.7 3394940.3 3049320 6147069.6 4399121.8 5857177.8 3611640.9 4836335 6930494 5313579.2 5745287.9 4778769.7 729706.1 1109043.5 4140134.6 2979447.4 4630637 3051930.2 5221394.6 2468211.5 3416747.9 1145088.3 1091285 1031615.7 1335803.9 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name chemical_ID InChiKey mz retention time MSIcategory Adduct Hydroxypyruvic acid HMDB01352 InChIKey=HHDDCCUIIUWNGJ-UHFFFAOYSA-N 103.0036 20 1 M-H Serine HMDB00187 InChIKey=MTCFGRXMJLQNBG-REOHCLBHSA-N 104.0353 37.3 1 M-H Glyceric acid HMDB00139 InChIKey=RBNPOMFGQQGHHO-UWTATZPHSA-N 105.0193 36.1 1 M-H Uracil HMDB00300 InChIKey=ISAKRJDGNUQOIC-UHFFFAOYSA-N 111.02 28.8 1 M-H Acetylglycine HMDB00532 InChIKey=OKJIRPAQVSHGFK-UHFFFAOYSA-N 116.0353 33.1 1 M-H Pyrrolidonecarboxylic acid HMDB00805 InChIKey=ODHCTXKNWHHXJC-UHFFFAOYSA-N 128.0353 35.9 1 M-H Heptanoic acid HMDB00666 InChIKey=MNWFXJYAOYHMED-UHFFFAOYSA-N 129.0921 47.3 1 M-H cis-4-Hydroxy-D-proline HMDB60460 InChIKey=PMMYEEVYMWASQN-SEFKMRKONA-N 130.051 36.8 1 M-H Hypoxanthine HMDB00157 InChIKey=FDGQSTZJBFJUBT-UHFFFAOYSA-N 135.0301 37.4 1 M-H O-Phosphoethanolamine HMDB00224 InChIKey=SUHOOTKUPISOBE-UHFFFAOYSA-N 140.012 42.1 1 M-H 4-Acetamidobutanoic acid HMDB03681 InChIKey=UZTFMUBKZQVKLK-UHFFFAOYSA-N 144.0666 26.7 1 M-H Oxoglutaric acid HMDB00208 InChIKey=KPGXRSRHYNQIFN-UHFFFAOYSA-N 145.0143 35.3 1 M-H Glutamine HMDB00641 InChIKey=ZDXPYRJPNDTMRX-VKHMYHEASA-N 145.0619 35.8 1 M-H Mevalonic acid HMDB00227 InChIKey=KJTLQQUUPVSXIM-UHFFFAOYSA-N 147.0662 29 1 M-H Ribose HMDB00283 InChIKey=HMFHBZSHGGEWLO-SOOFDHNKSA-N 149.0455 36.6 1 M-H 24-Dihydroxyacetophenone HMDB29659 InChIKey=SULYEHHGGXARJS-UHFFFAOYSA-N 151.0401 49.2 1 M-H Histidine HMDB00177 InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N 154.0623 36.8 1 M-H Indoleacetaldehyde HMDB01190 InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N 158.0612 74.1 1 M-H Aminoadipic acid HMDB00510 InChIKey=OYIFNHCXNCRBQI-UHFFFAOYSA-N 160.0615 35.9 1 M-H Fucose HMDB00174 InChIKey=SHZGCJCMOBCMKK-DHVFOXMCSA-N 163.0613 38.4 1 M-H 3-(2-Hydroxyphenyl)propanoic acid HMDB33752 InChIKey=CJBDUOMQLFKVQC-UHFFFAOYSA-N 165.0557 39.6 1 M-H Homogentisic acid HMDB00130 InChIKey=IGMNYECMUMZDDF-UHFFFAOYSA-N 167.0348 31 1 M-H N-Acetyl-L-aspartic acid HMDB00812 InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-N 174.0407 35.1 1 M-H Citrulline HMDB00904 InChIKey=RHGKLRLOHDJJDR-BYPYZUCNSA-N 174.0884 35.8 1 M-H Gulonolactone HMDB03466 InChIKey=SXZYCXMUPBBULW-SKNVOMKLSA-N 177.0405 31.4 1 M-H Hippuric acid HMDB00714 InChIKey=QIAFMBKCNZACKA-UHFFFAOYSA-N 178.051 37.1 1 M-H 3-Phosphoglyceric acid HMDB00807 InChIKey=OSJPPGNTCRNQQC-UHFFFAOYSA-N 184.9857 29.5 1 M-H Quinic acid HMDB03072 InChIKey=AAWZDTNXLSGCEK-RKGSPJAZSA-N 191.0562 30.3 1 M-H Gluconic acid HMDB00625 InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-N 195.051 35.7 1 M-H Pantothenic acid HMDB00210 InChIKey=GHOKWGTUZJEAQD-UHFFFAOYSA-N 218.1033 35.5 1 M-H Hydroxykynurenine HMDB00732 InChIKey=VCKPUUFAIGNJHC-UHFFFAOYSA-N 223.0709 37.7 1 M-H Myristic acid HMDB00806 InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N 227.2016 223.7 1 M-H Ribose 5-phosphate HMDB01548 InChIKey=KTVPXOYAKDPRHY-SOOFDHNKSA-N 229.0119 34.3 1 M-H Cystine HMDB00192 InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N 239.0157 40.4 1 M-H Palmitoleic acid HMDB03229 InChIKey=SECPZKHBENQXJG-FPLPWBNLSA-N 253.2171 232.5 1 M-H Palmitic acid HMDB00220 InChIKey=IPCSVZSSVZVIGE-UHFFFAOYSA-N 255.2328 253.7 1 M-H Glucose 6-phosphate HMDB01401 InChIKey=NBSCHQHZLSJFNQ-GASJEMHNSA-N 259.0229 42.5 1 M-H Heptadecanoic acid HMDB02259 InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-N 269.2484 270.1 1 M-H Gamma-Linolenic acid HMDB03073 InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-N 277.2171 223.2 1 M-H Linoleic acid HMDB00673 InChIKey=OYHQOLUKZRVURQ-HZJYTTRNSA-N 279.2327 239.2 1 M-H Stearic acid HMDB00827 InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-N 283.2641 281.7 1 M-H Arachidic acid HMDB02212 InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N 311.2953 297.7 1 M-H Docosahexaenoic acid HMDB02183 InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N 327.2328 227.9 1 M-H Adenosine 35-diphosphate HMDB00061 InChIKey=WHTCPDAXWFLDIH-KQYNXXCUSA-N 426.0209 29.2 1 M-H IDP HMDB03335 InChIKey=JPXZQMKKFWMMGK-VTHZCTBJSA-N 427.0071 35.3 1 M-H Glycocholic acid HMDB00138 InChIKey=RFDAIACWWDREDC-MZMBZMQMSA-N 464.3017 44.8 1 M-H Adenosine triphosphate HMDB00538 InChIKey=ZKHQWZAMYRWXGA-KQYNXXCUSA-N 505.9874 27.1 1 M-H Biliverdin HMDB01008 InChIKey=RCNSAJSGRJSBKK-YKSNQIBWSA-N 581.2399 54.9 1 M-H METABOLITES_END #END