#METABOLOMICS WORKBENCH kuppal2_20190529_085535 DATATRACK_ID:1736 STUDY_ID:ST001193 ANALYSIS_ID:AN001988 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 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:CHROMATOGRAPHY_TYPE HILIC MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap CH:COLUMN_NAME Waters XBridge BEH Amide XP HILIC column. 2.1mm x 50mm x 2.5μm particle size with Thermo Accucore HILIC guard column CH:COLUMN_NAME with Thermo Accucore HILIC guard column CH:COLUMN_TEMPERATURE 60C CH:METHODS_FILENAME 20160920_posHILIC120kres5min_ESI_c18negwash.meth CH:SOLVENT_A LC-MS grade water CH:SOLVENT_B LC-MS grade acetonitrile CH:METHODS_ID 2% formic acid 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 CH:CHROMATOGRAPHY_COMMENTS Triplicate injections for each chromatography mode #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 POSITIVE 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 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 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 Cadaverine 184310.8 0 54713.8 48910.3 256504.6 244585.4 5851057.2 511082.1 320202.4 533802.6 694010 445575.6 131582 808519 301784.8 5440402.5 213046.7 417753.7 189892.4 4660977.1 655381.1 572700.6 643005.7 79457.5 0 52354.7 1410848.4 5427941 499639.8 406647.8 690944.5 1363073.7 205451.9 64358 344510 249592.7 351956 416116.5 74603.7 323424.9 380642.3 613205.7 1013099.7 133979.4 957107.7 608301.1 252271.4 0 0 0 0 0 1313687.2 99864.7 294684.7 3060273.7 2000153.9 967213.3 3194090.9 1136542.7 5236819 2488150.8 2130498.5 1877584.7 251337.4 456137 543347.4 3988.8 0 222318.4 1294858.9 364562.1 0 635304.6 663232.5 966000.7 0 250769.9 1259410.5 140141.6 460410.1 0 379712.8 1059660.4 0 2392535.8 0 325378.3 383408.3 519021.5 354564.5 609610.9 1486941.1 223405.5 0 0 0 0 472393.2 0 186307 597909.2 403187.4 248216.6 122670.5 1006812.4 0 6261566.1 1329447.7 1323277.9 1253494.7 4117482.5 0 3047541.6 369289.7 309727.4 418631.9 365050.8 902523.3 0 0 0 250684.1 1202439.6 572403.2 3480618.8 764972.5 0 642106.3 2117082.4 1044074.4 48766.9 1595860.5 0 823383.8 724069 2052140.2 365558.9 170292 1323599.7 0 0 0 0 0 0 0 0 854810.2 918988.8 621148.6 1125017.7 487804.7 1218606.4 1438675.4 1202721 454706 515675.1 609137.6 0 1662015.2 488675.8 0 1034055.2 359800.5 483644.4 695700.1 327199.5 0 0 6296452.1 2657491.4 1608321 702211.8 293859.3 520106.6 2016222.1 0 0 0 0 Benzylamine 267350.7 247102.2 159460.1 111780.8 244875.7 199840.7 226020.4 167708.2 283067.6 184844.1 171776.9 135603.7 167269 165276.1 192748.9 152234.7 162251.8 185824.9 142070.1 123781.1 176449.5 162694.3 270358.9 374047.4 177338.8 139071.6 158051.8 217606.4 143439.6 241036.4 191600.1 655359.8 260973.7 520716.6 520307.5 318271.7 334291.1 401065.8 218754.2 339854.2 235375.4 244577.5 161745.8 286760.5 401344.6 287569 144902.7 173611.5 138094 145188.1 249130.4 273508.2 195525.8 171195.4 209492.7 235646.8 142107.6 19615.5 134144 254334.7 105904.8 260935.6 239608.4 115566.6 171507.3 480544.9 436126.8 501127.6 460735.1 160767.9 241042.9 298823.1 311894.7 269552.1 310529.6 195784.8 604304.9 386539.9 351594.8 262156.2 354875.9 311732 287010 216711.7 182448.8 212990.9 284475.8 275406.9 322733.5 232454.9 109650.2 227917.7 48508.4 280324.6 82686 117648.5 122627 243104 56510.7 103486.6 188237.8 454644.5 294593.4 367579.2 372380.2 122025.7 365550.7 367998.6 332575.4 408991 304299.4 402304.2 176411.5 260064.1 255682.5 124190 120359.7 288699.7 246755.5 181405.3 64241.1 63305.3 107205 105923.6 228940.5 129207.8 265570.2 138267.6 161785.5 49291.6 262466.1 275510 94017.3 298601.4 144472.9 320920.8 325896.7 144282.2 289464.7 317201.4 297289 532565.2 390486.8 278447.3 285305.9 504399.1 460740.2 309447.9 443537.8 392922.5 168559.6 163539.3 336267.9 135778.4 144069.7 206739.7 175611.1 206610.7 154242.7 281367.7 215177 246321 154455 177813.8 243228.3 224472 174313.5 143848.9 196262.7 417699.4 135564.5 179909.5 194255.3 194292.7 231885.2 200540.8 183307.9 395884.4 118054.7 203726.9 138621.5 Acetylglycine 641965.8 270574.5 331512.8 354283 420502.1 433951.8 436320.2 449699.9 1418483.9 1838251.5 591035.8 1889105.6 578386.8 417197.5 470979.6 481276.4 465685.3 457467.6 543431.1 464374.3 418894.9 413223.9 357782.1 444864.6 397283.3 342178.6 385233.3 432493.1 484265.9 1069657.9 486466.4 436707.9 1358104.4 363492.7 418275.7 1050559.3 439681.8 1544135.9 452955.8 457304.2 550099.9 436018.7 454277.2 487888.8 571247.3 561418.5 428710 355948.6 490795.3 479165.8 304739.1 274665.5 1298321.4 603376.6 302341.5 1136007.1 230608.6 464536.3 690669.3 1562723.9 510436.9 1111169.4 553037.7 347317.7 44277.6 1421877.4 1036077.6 443368.9 359949.5 281583.9 943328.7 149995.5 394846.7 250857.9 416841.2 469217.1 1505360.8 931073.6 443157.2 610362.7 514844.5 430838 930573.9 329893.1 405231 444301.8 479144.8 817489.5 1070376.6 793774.3 410395.5 366234 381934.2 652713.6 322673.2 235588.5 365989.1 282999.6 234819.9 301073.4 432536 2120597.7 131655 515241.5 634736.4 665099.7 603384.9 872256.1 561253.4 612651.9 653450.3 564610.8 761056.6 599298.3 575300 1143014.7 790392 826928.9 785549.8 485904.4 371058.8 390958.9 501759.2 582034.5 608766.6 638460 701814.8 64233.4 616943.1 385826.3 429097.8 545943.1 641047 575623.3 397561.5 277561.8 309669 532452.5 282252.2 430566.2 436589.7 1454764.8 957037.1 472729 656375.4 644648.5 619019.6 481570.4 683934.6 675102.1 804309.8 736723.4 483045.6 575275 462463.2 514842.8 2483996.1 724070.6 659590.6 800141.8 622724 763336.7 415496.4 545057.5 451212.6 328525.3 425206 539131 354078.4 386652.5 499547.3 559959.5 627597.4 414834 510820.7 626123.6 419302.4 475777 280346.6 379542.7 267915.6 Cinnamaldehyde 520650.7 466519.6 420974.7 342590.8 180715.4 222077.2 405024.7 185589.3 196809.4 162533.5 194678.9 391026.7 389969.2 395760.3 168279.3 239614.5 389966.5 372947.1 161465 383204.7 530209.4 384189.8 202218.4 332208.2 299261.5 275156.2 217438.7 340462.1 113925.5 351441.4 200454.7 127609.2 307135.1 314529.7 117441.3 321269.7 359607.4 394485.5 340540.9 430021.8 165674.4 378158.8 514394.2 369413.2 126397.8 383873.8 133754.8 271887.6 203426.3 375755.6 309143.4 315983.4 349718.6 365728.8 340524.2 156902 390525.9 325681.4 133859.1 164893.2 143781.9 153650.1 196423.2 341018.9 363140.7 147706.1 390888.3 148018 120701.1 171003.2 413868.2 437455.3 160934.4 330951.1 366183.6 155563.9 386798.1 413252.7 120826.1 398870 362064.6 158033.3 408069.1 390942.9 174472.6 385688.9 153425.3 395211.6 400493.9 412003.8 394771.5 520138.1 422219.7 430335.9 131876 347498.6 376153.7 78174.7 297852.3 294905.3 117974.9 364696.7 330740.3 364132.7 95314.4 428388.2 183663 433940.4 127629.3 370641.3 361324.9 327107.2 334154.5 114019.9 307679.3 341168.6 296217.9 341577.2 340059.8 187671.5 114213.6 265493 345919.6 436642.3 94030 583423.9 349753.5 322641.7 337247.9 398560.3 339304.1 247619.9 315613.5 103191.1 331715.9 388954.4 331538.4 346684.4 112824.3 359537.1 341387.5 377977.2 314654 471533 494794.8 511409.7 436734.8 480794.7 484290.3 481836.5 471802.4 421372.8 209557.1 231788.5 361159.5 218097.6 374644.6 399595.4 189196 360603.2 364443.9 191396.2 183587.3 386372.6 369825.1 189614.1 195252.2 188735.5 212676.1 262597.3 348549.6 148329.2 326467.4 173176.5 162147.4 182567.2 182997.3 170460.4 191400.6 345842.1 317579.7 Ornithine 199874224 332040758.1 186708304.7 154107385.2 366990389.1 831663775.8 496512338.2 545923393.6 488705724 739560379.5 580147572.5 595406433.1 236772611 456230165.2 485752504.5 581568847.3 618187245.3 426411478.7 459482746.2 402176621.2 563770197.3 193332387.7 454108062.8 488704915.3 125078842 114244545.7 366959470.3 514360069.3 361231497.9 641346060 422170052.4 401220093.2 347321539.4 350827942.5 420918267.8 411190725.5 506003511.2 281737663.9 164577161.1 482753983.1 228580965.7 490608981.2 656133881.2 377489498.9 152705041.7 357606669 134540613.5 122212756.1 576322957.4 408286067.2 238278457.1 233488748.5 469959055.4 553121769 305339000.4 216300192.7 219776352.8 707064007.5 654062313.9 895405327.7 370036683.5 578114660.4 447462746.8 291284165.1 374774134.6 491092672.5 618599441.4 587763602.3 369837091 390281753.7 631568260 614885759.4 204882231.7 195580503.5 489181842.4 610000762.5 428403468.3 452874701.4 582867518.4 635003220.2 397090547 254393141.8 357216887.6 183896514.3 257993301.5 334631265.6 204668906.3 255263084.8 297895095.2 267902779.4 471865845.3 179978256.9 376720193.3 430116938.1 156928841.5 149503142.4 330794323.4 474309087 205290925.4 208055574.7 442946477.8 536067526.6 278860447 393118835.7 388106293.1 585922629.6 390050253.8 382195862.8 732884021.5 305072768.6 673827160.5 552997140.9 656585993.7 576877199.9 501006900.3 392634726.1 449836194.5 619473699.7 699240950.1 551307453 243971280.3 242320229.1 376859359.6 518086426.3 343212094.4 715431032.2 296128136.1 208951720.1 254161893.3 272962137.1 242801808.8 621432511 260418954.8 199376846.6 197092764 205737226.1 267311127 301845739.7 430966631.1 394332402.1 169821869.6 767627741.8 191118632.2 187808704.7 364503445.1 535000920 222811140.3 223814677.5 595079258.8 647969296.6 319355238 530449804.2 345725729.5 617137749.1 537332118.2 483213669.7 300446650.1 492330333.9 860510996.3 693883780 473603046.9 270336138.9 409101813.2 435090958.9 228851932.8 304994873.7 359864263.7 318954139 181567379.5 177855319.2 537526885.8 431787321.4 284359767.6 256543027.5 217776476.1 316121524.1 484622545.8 198171748.3 187091582.4 534619648.4 327860113.3 Phenylacetic acid 1475797.6 1303925.1 1151176.4 1150532 366180.4 1322632 1193569.7 1128658.3 1201685.7 1131331.5 1400835.2 1152866 1148511.3 1095374.4 1022832.6 980741.9 391591.2 1052143.9 993308.1 922791.5 921268.8 1038781.5 956713.6 963891.5 913343.9 763090.7 1025263.9 900624.2 972859.8 905550.1 983784.6 1008700.9 890459 838064.7 989023.8 942750.6 988882.8 1019101.8 935293.4 1011221.5 993916.8 1003352.8 459766.6 1248340.9 1043612.9 1239895.6 851462.7 936119.9 963427.4 1182838.4 895985.3 774262.7 783645.3 1019162.3 968670.6 919747.2 944675.6 1090071.1 956686.9 924563.5 868000.1 919986.8 817351.3 982302.5 950688.4 906811.8 959752.8 795058.2 989210.8 1097967.8 1162274.7 1111993.7 770310.5 931390.6 1166407.6 1108230 981674.2 1034540.6 1066754.3 1148086.3 1108864.9 1078419.9 1061636.9 1297479.9 1053816.2 1212937.8 1085086 1303734.9 1286462.3 21317.5 1179752.8 1181555.5 1103705.7 1402525.5 859439.7 944481.9 1054714.2 948784.4 824914 843523.6 1043849.3 1048872.5 1210134.7 1049850.3 1127890.1 1091501.1 1016015.6 1156146 1122555 546365 892676.7 971678.2 1095374.1 1090432.1 961712 1074862.1 1032758.9 1087243.1 886604.5 947859.8 843191.7 853297.3 1030532.7 856027 950949.5 985849.2 968647.6 915104.1 998941.3 902227.7 973268.7 978133.4 878570.8 906194.9 884213.7 952400.6 934966.3 918046.4 828797 979744 859096.7 2049662.6 1341800.2 1212637.8 1521006.1 1435373.4 388104.7 1218536.3 1268473 1263331.8 1238782.6 1141201.7 1194905.9 1060496.6 996074.1 1263426.8 970906.4 1117593 1037453.1 1068378.8 1024159.3 981309.9 914178 1100830.1 1062594.6 966297.9 969318.3 957116.1 285824.8 813111.8 932144.6 937363.5 976872.3 995341.6 1039608.1 1016417.3 950003.5 801631.2 802192.8 888974.1 895391.3 Spermidine 271509.2 682298.5 183797.5 0 1683408.7 2220199.9 2079780.2 2379260.5 2076392.5 2357841.5 2561549.6 2023313.5 1293105.3 2551374.9 2416734.2 1719684.8 2059017 1165519 1382024.2 1704363.1 1281716.8 1689679.4 3607674.9 2069464.5 190157.9 147979.5 2140920.1 1299721.2 1417268.4 1858183.4 1700312.6 2210363.5 2444117.9 18733020.7 2139526.8 1519161 1409018.8 1538708.9 1453522.2 2537762.4 2598617.1 2057234.5 3415761.4 2541107.7 2025476.6 1779568.6 559534.8 770573.2 1128650.2 806205.9 0 0 1769094.4 2094908.7 2119348.9 1372269 3631359.4 5451533.6 2221279.9 1919312.3 2468722.9 0 12001346.9 4043114.2 3856103.3 4224782.3 215081.7 7631859.4 3312995.4 3187844 4025754.3 1768094.8 0 0 1331888.9 4004318.3 2449939.3 1830621.8 377526 1370993.3 2179855 0 3509594.7 2611726.8 755995.5 2178860.8 831907.4 682193 2090054.9 799939.3 2044149.8 1817134.1 332194.7 2523960.2 0 0 925312.7 1188457.8 0 0 470942.7 2874111 4014839.3 3647712.8 1064303.6 2359568.6 1182655.8 0 1965013.5 4186576.6 2623454.3 4804615.6 996464.9 4088348.7 1414411.2 4742940.5 1883066.1 3843465.4 1035997 1222768.2 0 0 1212395.7 1212553.8 1184770.4 3118555.3 1280177.2 2079061 1784500.1 553652.2 0 3371639.4 2764205.2 1702779.8 1998134.7 2640828.2 1765432.2 1575118.2 5077677.7 13636110.1 849548.7 3500234.7 405336.4 9011.6 914502.4 1427190.6 506204.3 401080.7 1585998.2 1661923.8 2523230.1 1134373.7 1518205.5 2920196.7 3111393.2 1382379.3 2052562 2445296.7 477113 1488639.1 1265477.7 6621210.9 9378576.1 1645506.6 672356.1 3085543.2 5731612.8 1587094 364797.3 349082.3 1548342.2 13146313.1 1908758.6 2210926.9 1757710.5 1227342.2 1078110.2 324008.8 256323.5 1304466.8 456039.3 Lysine 339473000.3 434770012.1 391945016.1 362275131.2 1138876709 1382855241 2347087680 1397037032 1190291565 1964294381 1337684961 1555393328 1027398600 1843600522 1213262087 954122743.5 1492286709 933300338.4 1583153697 1529654531 1415262177 749267630.6 966670797.1 990888345 311761891.1 293916548.3 1674428303 1680569305 1178315238 1324171055 1444679565 1090959571 1252980555 1290019218 1488080470 1168040417 1222024229 887745898.4 998747378.7 1349967686 843862435.2 1289132450 878393001.4 1224064726 893192655.6 1098653149 352107002.4 348690426.7 774255123.5 626309998.3 554873393 535612405.5 1483321853 1237920916 1069724353 696002584.2 745179422.2 2226352075 1489514308 1955793549 1234692606 1351126945 1201463607 1272685246 1393609691 1373393823 1399130613 1201912190 883360667.2 932443404.9 1359772588 1253098143 449505182.3 438759056.7 1447427980 1417343947 1953567866 1245955632 1503190503 1612926962 1623047799 651337671.4 1339654219 689097655.3 1092222101 1230496183 744460368.5 647824911.1 717427539.9 866788457.8 1375076876 669043245.8 860642430.1 1673454534 362703018.5 352882092.4 521241780.3 670068597.4 462614724.3 452776266.9 1194388877 1530762915 983943942.7 1101643254 1240993098 1376247057 1284639691 1177603595 2163363825 1226223070 1343020972 2196752187 1538027196 1810334572 1286768179 1449869663 1341359252 1670029236 1068988993 1437919782 516468231.8 532391737.7 1026349996 1253608228 1224740690 1738969835 1260317393 1114642287 836906733.4 877495973 787097894.8 1769198081 1001176397 589636117.5 685043042.2 717292718.6 860253916.7 767843238.8 603601179.2 857544872.5 857710667.7 2233477750 503011981.6 505009029.3 607871772.6 786951837.8 420872005.9 413599083.4 1624764828 1552299894 1230863279 1225022362 1504261033 1506943108 1771648431 1521706771 1467553862 1425458353 1687053935 1824036901 1177337095 1243454979 944689766.2 1331015183 893905409.7 1430976655 1083553196 1338802770 314199920.6 269293251.2 1248848957 803357084.9 1126594368 1048402530 1212687076 1048496394 1409864649 368023300.9 350199066.2 750329053.8 658059209.7 Glutamic acid 192584666.5 692243957.2 569375141.6 510329281.7 355472015 224443415 164410440.5 332374995.6 325831121.6 199781867.1 639381532.6 226079463.3 195208160.9 259640937.9 499605849.2 672749041.5 155068853.6 154836513.4 210869746.7 187136271.4 406896708.4 100997814.5 774953838.9 205710723.2 529413263.2 532153576.5 171371933.1 189238586.5 203319468.7 186240661.5 242018781.9 257824784.6 127306676.3 2196147680 109374746.1 107810842 266321608 232463437.5 120856306.9 464734056 447383228.4 258004251.8 544824933.9 153861318.3 271566487.4 288985157.4 562196868.6 540688500.6 1082460088 1187528356 819971655.8 850683607.8 87352211.2 1049328867 22186984.6 94471167.5 63560202.7 633616909.3 471613720.6 384536046 206822034 1067890066 375965827.1 263199770.3 524471487.6 186621951.5 442996320 705969065.5 178417284.7 77616209.8 643860905.9 183980235 689727906.5 646773024.3 350886454.4 716651987 210035357.5 119941009.3 308897765.6 230554539.1 236169843.4 32036515.5 248407505 123685475.8 20993822.2 123273408.7 35665727.8 112431873.6 228424698.3 55514976 157454556.6 82068637.1 178838824.5 287650886.7 543023853.3 503494335.7 956208034.1 1556125980 799357095.9 800571528.1 329473103.2 260288586.5 294135163.3 97434111.7 308404746.4 416985215.4 182621789.3 266090190.7 235089960.2 686639856.9 488201308.9 171695638.6 466958948 232670739.1 177106460.3 135022845.3 173303082 390388955 462247194.8 178557121 932038677.1 974238865.2 165502786.3 190730468.6 257641705.1 348319654.7 224058911.3 125244640.4 115077360 151327508.5 200134049.2 233713292.3 80920645.1 81448298.8 312430635 50176729.9 208735729.4 145638961.3 118407717.8 620097113.3 90451587.2 531059304.3 672469984.7 697197691.3 1038233858 1153354001 600279554.8 623923255.2 160452470.4 239751389 73078686 184267804.9 69583412.9 628331654.3 286870800.6 177052782.7 93172459.7 273815715.4 1113281422 339827139.8 275675397.7 302715074.9 1093548764 120736936 40508339.4 67737314.5 511298263.4 152769344 478384312.8 434343016.2 253777723.4 410152005 61698807.1 176023797.4 316807053.7 53441355.7 175892632.3 575849891.2 511691529.1 1121760890 279075521 24-Dihydroxyacetophenone 1623995.5 1156826.2 782181.9 1148241.7 826030.1 1357494.2 1299114.4 657675.2 1411195.5 1302632.6 682539.7 1361445.5 1373699.6 1318789.1 964564.6 1326269.7 534007.4 642654 1287580 1189999.9 1167947.8 1290241.1 1168521 1531164.4 1096355.7 1356582.4 1287946.8 1243919 1670582.9 1211544.2 1431273.3 1259464.3 1332477 1261407.2 1209096.5 671443.9 1336080.2 1363189.6 1320402.1 1350523.4 1285277.3 1348499.6 1133185.6 1337415.7 1478593.6 1524646.2 1294956 1248258.4 1230062 1287954.2 950401.3 761950.7 1052444 1364711.8 971319.5 1152535.5 1322666.8 909958.3 1013133.8 1142833.2 1006258 1193398.7 805665.7 1160383 1162419.5 1146868.3 1202672.9 1033028.3 1292147.3 1404653.9 1283434 1347980.4 808023 916709.3 1283715.3 1554486.3 1100360 1262814.4 1361307 1294261.3 1420717 1504405.8 1499508 1547194.9 1625764.7 1173622.8 1554320.4 1220124.8 1369536.9 1228635.9 1414654.9 1636849.5 1685155.7 1411984.8 860326.5 1121798 1136680.9 1076515.6 775041.2 1142122.1 1223416.1 1293787.3 1161490.8 1206331.2 1367273.7 1416295.5 1566587.5 1546024 1576843.8 1732820.4 1303960.4 1080935.7 1223312.8 1355026 1302233.2 1422181.4 1124907.1 1282214.1 1454125 378116.8 935429.9 993503.7 1187417.1 1436865.8 1376557.8 1226626.5 1280348.7 1171735 1115132.3 1321640.7 1197006.9 1234133.7 1078012.2 1118627 1343546.7 1208271.7 1224226.1 1051231.6 756446.3 1361090.2 1267879.7 1702055.6 1026079 937523.3 1381093.2 1853579.2 1384945.6 1394349.6 1466507.9 1388846.3 1353834.7 1288778.2 1200048.4 392875.4 516750.9 1289719.1 1240678.5 1305523.4 1102298.2 1186750.8 1182761.7 1149227.5 769645.6 1369989.8 1221508 1309536.4 1193681.8 1297274 1078666.7 1029582.5 1171651.8 1291513.4 1169653.8 1320122.6 1448860.6 1080543.5 1222517.5 1478626.2 1121916.8 1190140.8 1283528.3 3-Sulfinoalanine 163832.8 116806.5 31814.4 77209.2 742407.6 443274.5 409518.1 668609.3 650231.1 651834.7 1058494.3 549425.8 324408.7 666114.8 525531 732705.7 369062 352581.8 499280.7 247406.7 300132.8 324246.4 314951 557017.1 2151609.6 217742.2 513504.5 681780.5 709730 440661 409006.3 672631.7 453197.3 3841420.7 590016.4 404543.7 309615.4 555387.4 488855 457151.5 680913 325991.7 764337 604113.2 511854.8 675133 46550 332530.2 109703.5 0 2758543.7 0 558859.3 130581.7 292310.4 0 222185 1076853.3 491751.3 418747.7 549502.3 468727.5 1023452 633189.6 986298.3 433222.6 79614.5 1029715.4 277273.2 331360.7 297151.9 329538.4 1691331.1 629327.8 262516.2 1004482.5 237885.6 269862.3 156622.8 648974 397222.1 85191.8 312663.7 575455.8 805968 553404.1 523747.1 805020.6 714385.6 153031.7 356343.9 148624.8 266309.3 996928.6 665901.1 315414.3 779654.3 0 1081412.7 2360570.6 294264 2773618.2 160843.9 234572.2 1130967.1 191598.2 217170.9 309751.5 423911 648024.8 340919.6 300041.3 2044041.1 676895.8 240856.6 595793.7 164280.7 290744.9 483977.4 360379.7 0 263488 1145751.8 0 545525.2 438781.6 261350.2 395589.6 201474.6 504796.6 384122.7 0 196269.9 739654.1 224045.5 176517.1 178714.4 560200.9 151660.2 192695.5 482578.1 1230086.2 619035.1 767069 157191.8 655840.4 512455.5 847988.1 731392.2 623368.6 691920.2 455234.9 909434.9 2093428.8 1644878.2 272688.8 563795.9 787855.4 0 862302.4 0 1067307.8 618325.6 405445 329974.1 158413.8 300605.3 307145.9 411242.2 269581.4 141781.9 758337.7 136178.9 51172.4 418943.7 267753.7 492264.2 286102.2 851860.4 104412.7 6807.4 Histidine 1003621999 1345982070 1122562577 1063849428 2408115753 2850480519 3193755189 2592042256 2410445152 3555204059 2403408310 3185199400 2416421566 3189211770 2648710448 2434037175 2433546115 2231999595 2733949011 2781895495 2440160859 1781037998 3117449781 1888269839 1012176903 994159105.7 2665440560 2790479161 2735193271 2974822597 2714158201 2616330040 2176138481 2827669904 2605226844 2039340203 2961685517 2087876057 2977176973 3103397080 3638897896 1882812622 2402848501 2858486743 2157905665 2770215185 1078414374 1045680556 2001238610 1708817212 1350786254 1294617225 2575861413 2107741879 2608646203 2055162497 2055985276 2730452500 2817772912 3328994242 2417586179 2890524421 2342768938 2643413703 2628291204 3088288438 2324044169 2051577254 2920794293 4112705171 2508602666 2735385970 1193897761 1155072359 2223641216 2921059257 4077037923 3080308091 2702696349 2746784843 2802569574 2098160591 1898699714 1765632794 2081396357 2781083884 1745185251 1730423798 2118935433 2205421738 2351055401 1934478654 2750811740 3065844286 1039024801 1003078029 1650368963 1913540688 1113174221 1069175549 2556323432 3053849930 2470961926 2524685164 2006547065 2503929860 1908048913 1914699391 3386088728 2781611620 2304599704 2619785768 2406439600 3805064411 2605831051 3339439891 2347055106 2512866579 2345358374 2408549628 1301969857 1349578633 1929192505 2623167840 1972710527 3994789077 2724672928 1519487425 2419041453 2045944602 2350092618 3971797141 2572983683 1776118666 2004391763 2564941950 2152547114 2506821463 2614078595 2281117587 1899478873 3421471643 1415942760 1487937397 2141361809 2160552004 1389099335 1403969011 3312669417 2763228511 2592980500 2392359163 2674596479 3929076077 3813705837 2477140138 2656192717 2414551737 3364795876 3478334014 2661918075 2267365259 2353170474 2449688560 2199125742 2025282453 1826020190 2488609948 1195146611 1149024464 2797794299 2263150384 2025460129 2194163305 2811872678 2330474402 3261951807 1323686183 1278512456 2133011486 1692587263 Aminoadipic acid 4883587.7 2788159.2 0 3813020.8 4586769 4685240.9 5427782.9 3140438.6 2518803.1 5195600.1 4335847.7 3558755.7 2304610 4649172.9 5966571.1 5735084.1 4764471.7 2448430.1 2966151.1 2785821.7 2666477.3 2651595.7 2757065.8 2881903.9 0 4076051 5000973.2 4321688.1 3198743.2 2692999.5 3787060.6 4513253 3736864.1 31477569.9 2866336 5109660.1 3324809.8 2535914.4 2250940.7 4412201.8 2716368.4 2858092.2 3099637.3 3427892.2 6727020.4 5131375.2 5270492.9 4833545 3115176.7 0 8180249.3 6113962.7 2881244.2 6751891.4 0 4424427.7 1731381.9 8800161.6 3665973.8 4651595.7 9908545.5 8643813.3 7147881 3968138.9 3092344.1 5123395.7 2369439.3 8783757.3 4647716.8 1764004.1 2213271.9 4404245.5 9747201 3759504.3 3558882.7 3577549.3 4148070.1 4670109.2 5896424.2 8355185.5 7779314.6 2473018.8 7559271.9 7471241.3 1277687.2 2866620.7 635806.4 0 388919.9 101047.7 2262155.2 0 328322.2 2419305.7 1839804.4 9508378.6 1129239.8 2228775.7 6839344.7 8790887.9 3699464.5 6509339.4 6418349.3 2102124.3 10226143.9 4295768.3 1456480.3 1405345.3 5353926.3 3054951.1 10206353.3 11352271.8 3095975.4 4928639.5 3773861.3 4489038.8 10140221.5 4962908.5 4536085.5 1375739.3 9510641.9 4474388.2 1213192.4 4222383.7 694205.3 3761796.8 4560177.1 6505773.2 849000.8 518270.2 184661.1 9892517.9 811141 6102532.8 1197753.4 2879110.1 414231.6 2314252.2 0 719572.5 2182511.7 12781322.9 3090471.4 0 1483777.8 10223843.5 1072918 6161762.4 4148905.9 3396757.5 2552192.7 3703660.5 4679466.1 11178537.6 7124728.1 2036606.1 6875568.7 1914982 12694292.1 5285210.6 2849462.2 4780392.7 3713140.4 4328752.5 3916644.9 3779056.1 4815562.1 1277696.8 2193728.4 1620875.6 3541369.8 61986.2 1290284.7 2309501.3 5958849.6 2482324.3 6896335.8 6265254.6 4402459.7 6120782.6 1503713.1 Carnitine 630132866.4 613596397.7 594755232.2 567734452 236493492.8 257981389.7 298850380.1 210955528.3 289000390.3 245537311.1 254021037.4 316166607.3 267811657 264896536.2 206459745.6 312356444.3 235620383.3 218158973.4 433519381.2 214770541.2 221112268.4 408761088.8 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224759194.4 270761788.8 378097827.5 346798659 250247036 345765750.4 391969886 466208858.4 206588594.4 283744916.1 350273099.1 291104234 246039071.8 307948069.8 745469769.9 739816183.9 377175502.7 265940881 233763059.7 202226025.1 314370832.3 400188939.7 181979173.9 187774538.9 222557080.8 324074017.8 251104350.2 169139947.9 231196023.4 223336767.4 321226799.4 164759724.6 205325181 317967724.5 273058961.7 381797096.2 654789512.7 645067256.9 736711453.9 756510857.5 624973301.7 624257640.7 400857476.6 259088231.3 232220599.2 219453774.4 259164397.7 284820102.3 227020522.8 157692097.7 278108177.4 267011493.4 216456541.6 282969095.1 290548450.5 270723007.3 388203779.6 284158869 298037160 238647036.3 304475230.1 246567434 607479420.4 561420640.6 229988261.6 239682112.3 242407460.6 237545048.3 264583794.3 224930467.5 242065158.7 599778262 575471894.2 692124108.3 815628951.6 5-Hydroxylysine 1613503.3 614923.6 642784.6 518113.1 8328638.4 7195315 9292779.6 5266320.3 5974818.7 11825775.3 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237528397.8 Quinaldic acid 91643.1 308804.7 0 0 1310182 1168785.5 1112186.4 0 1487190.4 578136.2 1537818.2 0 62794.9 0 747596.7 1642246.9 381546.2 34540 794698 164663.9 1684106.2 865877.2 620396.3 0 0 0 1169278.9 0 204001.6 34527.3 197720.8 1014980.9 0 383353.9 1309156.1 260201.4 0 802827.6 103379.6 777039.3 176101 443887.2 0 129856.4 0 949127.2 176571.7 0 0 270604.1 69235.2 27736.9 851784.3 147328.8 913505.8 289430.9 959082.6 184160.6 205512.2 1024771.6 184516 1268938.8 191132.5 118651.3 880612.4 303990.3 1575391.6 2766944.9 129881.3 141166.8 243353.4 118006.5 166883.6 180248.6 1106125.2 374520.1 69447.9 226388.2 1845633.6 258420.2 303566.2 0 215325.9 241445.6 133181.6 244706.3 478989.7 200095.4 0 684134.6 765609.1 446013.1 539738.9 149126.9 106226.9 104649.4 126968.1 193930.5 197079.7 203062.3 269862.7 336915.9 857670.6 405781.8 313073.9 784781.1 257349.2 316920.8 427105.1 3041941.4 205035.8 460239.2 302874.2 986508.2 531171.4 294842.7 322523.5 201550.5 302898.9 184050.9 214066.2 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734639.4 425456.6 853651.6 951366.4 374710.5 10986327.7 526337 511411.3 486935 936067.6 538440.3 519538.2 206772 167301.7 179684.7 0 0 0 417877 501129.3 1688488.4 2344575.7 550207.2 1095067.4 587055.5 5940658.2 1366438.9 434443.9 0 464723.1 680862.4 855981.8 1197228.7 232735.4 945353 101807.2 574055.6 1172061.5 0 0 266076.3 1263633 4458209.4 940627.1 110986.1 851537.9 8338461.8 4656878.8 385772.7 3940200.6 298659.6 1504568 0 454110.5 2905963.9 1285903 2364593.1 345311.4 962832.9 411368.5 22103 0 495637.7 213915.4 113980.2 118241.9 0 0 486652.1 899571.3 1365795.2 443665.2 5035564 876992.8 834762.4 584750.6 516330.8 406487.1 1022346.7 244442.3 1258952.3 1482020.2 963649.1 705275.3 10815568.9 1679467.9 187037.7 119148.2 3641816.4 510497.6 2365969.1 370868.9 406473.6 0 405964.5 146873.1 0 159489.6 0 Indoleacetic acid 1637901.2 1135514.1 1987321.6 1691456.2 4089066.8 7138438.9 5442979.6 3930395.2 2895657 2957737 3607748.1 4077645.7 5172269.6 3320232.1 2589265.8 71656906.1 5297162.9 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136610.8 0 0 0 2132909.2 0 0 1066136.3 0 133386 0 0 6469641.3 0 64401953.6 59003922.6 0 2121646.8 0 517705 45584802.2 0 0 60594570.3 54687620.5 39636444.5 102735534.4 Glucosamine 1726561.3 2660468.4 2024289.6 2247976.5 1385746 1772160.5 1422592 1569940.4 1469901.2 1776904.2 1224013.6 739664 763663.6 799249.9 1681908.8 3055898.6 1420251.4 1522660.2 663405.3 1501900.1 1386279.2 1596239.1 1439624.7 1225230.2 1813668.4 2126158.3 1573288.1 1850702.3 947449.2 1480977.9 1664955.8 1553517.9 1871727.9 53616768.6 1597732.5 1895478.1 951563.9 1338377.5 917853.4 1459054 1527552 1858259.5 1515352.9 1511478.5 1748243.9 1523720.6 1838891 2054621.7 2602005.5 6101349.2 6559011.1 4183360.3 2585015.4 0 369650.2 0 0 3303782.8 3498147.6 131606.2 3145368.5 0 3044670.4 5454678.3 2155087.5 4144050.2 4367152.6 12306522.1 362026.3 6124623.4 0 0 4923516.5 5460992.3 2622357.9 3270403.9 5158767.8 802974.6 6089475.4 4104042.6 0 5696620.7 4460737.1 0 5472653.5 0 0 2742692.6 3637636.9 0 0 3120994.2 0 4611550.2 4789913.1 4692535.1 5550763.4 7452957.7 4721270.4 3144648.1 4993551.4 4511010.7 6346245.9 0 0 7056418.8 5276692.4 3372193.2 9727874.4 7649508.5 0 0 3418108.6 856910.5 0 2676824.2 2772465.6 4300560.3 0 4998865.6 9031876.2 6339697.8 0 0 1041901.3 4411190.9 0 72676.9 2304410.1 3293175.2 4553382.4 3851773.2 3251032.3 3699637 1850627.5 2708616.6 2920341.7 19837.6 2872470.6 5909051.3 0 0 0 0 2668263.2 9917966.8 0 10599723.5 9048409.8 3208146.8 0 5770656.3 7592695.6 4206981.8 2482859.5 6786778.3 80104.7 4742367.6 0 3249484.7 0 0 4860612.5 3657857.4 3436722.3 0 6803887.8 1890514.9 0 7571710.6 0 0 7090212.1 3884863.8 0 1599563.9 2386348 1717775.5 0 0 0 N-Alpha-acetyllysine 2159486.4 9984606.2 1894277.4 4108373.3 5856417.7 5355234.7 7912994 4710138.3 4797118.8 6095499.8 10819854.2 4103110.6 3476763 6003268.4 10778252.1 3777406.3 5311407.6 3675225.1 3510812.9 5010580.8 4494896.7 4397391.5 7060212 4434444.6 1888824.8 3696504.1 5063382.7 7349999.7 4639655.6 3996974.1 3835843.5 4257125.1 4163819.9 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3752579 5268262.8 2823372.8 3994089.8 3862018.1 4010221.5 7699006.7 4861043.5 14864549.6 3238542.2 3515137.5 10442897.8 11674572.3 5964590.6 3636543.6 3645856 4028250.8 4825784.2 5675194.4 4806344.5 3268744.1 6348124 4819816 4500260.1 5482248.7 4185160.2 3542963.2 3665186.2 4556309 3510305 3644945.5 4973269.7 5166712.5 9387836.5 9932528.1 3920827.3 3687043.6 4536244.6 3361761.6 4675674.8 4105308.4 4117381.2 11634596 9288041.8 3256966.1 3029150.6 N6N6N6-Trimethyl-L-lysine 7540978.7 7551887.4 8090326.3 7842172.1 11832009.2 12783545.8 16834785 10619224.2 5719678.9 10552629.4 10300788 9428400.6 5001824.4 11113848.8 10535786 6884086.5 8354908 11731029.9 12246604.8 7586738.3 12076911 12394592.5 15436001.3 7199246.3 11345609.6 11057090.8 11985825.4 11730778.4 5934443.4 11040056.6 10735540 10200134.9 14190899.7 23332720.1 21840695.6 11292053.5 15944458.3 11138966.6 10780236.6 19360694.7 6483229.7 22219123.2 13018189.9 13285773.7 11823657.7 19995133.7 13310440.2 12811369.9 19236601.1 8646047.8 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331184445.5 248502768.8 307969944.5 428034291.5 93395487.4 411843625.6 135318216.6 136535503.7 468685929.8 172194019.2 295141885.1 280496495.2 158350866.3 227529877.7 183521146.8 121872895.4 259805929.3 207502187.6 187166815.7 300972332.2 124790333.2 198161607 209239169 164891402.8 113572639.6 55558677.1 0 104028636.3 528891839.4 199815229.7 123982211.7 142897331 223112326.4 216138703.3 328825117.6 415245770.8 354550001.8 354637928.2 175561451.9 189831740.7 116187432.1 154064278.4 448268700.9 66682174.4 114059452.4 247770389.8 212345935.9 519337472 265409910.7 199586070.8 243539802.1 323335757.8 192080794.5 160332603.6 239305939.8 195854227.3 183702167.6 180303578.6 367320772.7 366658727.7 329434668.7 150372688.7 162530156.7 144593069.7 180511789.8 401733813.1 186006957.2 64773354.5 93995269.5 281903594.1 144564189.4 102858260.2 248660193.6 164739026.2 206999846.1 155663449.8 52594833.9 355951155.4 154319830 195811561.3 286542473.1 289737623.5 299573168.3 323147904.1 261819439 246619080.2 219517496.4 158230122.6 256455702.7 117916051.6 113744722.8 368235217.6 222237350.5 54343038.1 106210858.8 156266270.9 303445991 330057591.5 197562687.4 270479683 598308624.4 262589834.3 192825740.5 93930252.6 253715241.6 235429346.8 264609414 214792301.9 46156327.7 342879781.1 153829685.6 178880205.8 119338257.7 176575045.5 131566725.6 259932216.8 229024403.8 277425936.2 509029541.5 N-Acetyl-L-phenylalanine 0 0 0 0 0 0 14743430.3 0 0 0 0 0 0 0 0 0 13091726.9 0 341631.6 0 0 0 7888633 0 0 0 0 0 0 0 0 7385699.2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3383690.6 0 1619427.1 1767541.6 2214929.7 1580400.9 0 0 1599201.1 1923322.3 0 0 1276270.6 0 1785457.1 2487300.8 0 2241209.7 1554651.1 1372663.1 0 958790.6 1028917.2 26045361.7 1570423.6 2284166.6 1820502.3 0 2407584.4 1800940.9 1081035.9 1736090 1168368.8 1561219.7 1777911.5 1652638.3 1872737.3 1003335.6 1632888.2 1884600.4 1012514.8 2133550.2 0 2100320 1570966.1 0 0 2432313.7 907916.8 1322197.6 1167608.4 1818714.3 1870477.2 19547394.3 1358106.3 0 1696976.6 0 0 2235453.4 0 0 1611570.6 1305997.8 2466768.3 995299.6 1191304 1576922.5 0 2496724.4 971276.1 1450339.8 1369781 21210340.8 1187538 0 0 1253648.7 1029678.2 947962.9 0 1641389.4 1013792.2 1523644.3 1547445.6 939318.1 1195418.6 946942.4 1335683.7 1213319.7 1054978.5 974731.2 1191837.2 2592546.8 0 0 1671583.3 0 0 3126691.4 2581398.2 0 0 0 3172283.4 3024847.9 2371622.7 2592568.8 2302253.9 3122395.4 0 1798768 2637094.2 0 0 1967691.4 1886164.5 1567929.9 1740284 2220825 2727353.8 2842097.3 2294437.5 3017317.2 0 2756773.6 3237608.5 1609915.6 2537375.8 2475713.5 Phosphocreatine 0 187031.9 109351.9 78703 230778.1 213495.2 152584 352772.8 248925.3 4450510.2 433211.8 536348.7 965238.5 199265.6 438158.3 1526721.1 216383.7 3801408.7 287866.2 5095468.1 468686.6 318587.5 209263.4 507965.3 36921.1 12289 3493886.2 3859526.2 94878.3 2164030.8 2147.9 154212.6 218229.5 4943266.9 42058.5 155222.3 4632475.4 84453.9 2036899.2 217076.4 287228.7 2961652.7 55760.9 33953.3 546257 327696.9 66496.9 0 393952.4 272317.5 744572.5 1385810.2 718224.8 99670.6 1137043.5 77642 349351.5 565842.7 582280.4 594540.1 444325.6 733436.3 519672.2 0 521296.5 409542.5 458332.9 2820058.3 819402.1 77924 446792.8 1306799.5 451342.5 284862.1 1376834.3 2510052.1 2388118.7 1922976.1 783853.8 4223130.1 272709.6 356688.5 414310.2 214352.2 845494.3 8328706.8 0 66360.4 67262.9 74995.6 2735745.3 454367.7 147654.8 1245156.2 92318.9 323358.5 519305.1 227929.1 546048.7 539667.4 298244.6 2082016.9 2549157.3 0 765977.4 246939 651711.4 764571.3 403579.3 347699.2 190575.4 372949.6 504102.2 195429.2 4468392.5 409619 320400.3 390075.7 101102.5 302158.7 467537.3 400525.4 1831988.5 2189978.8 396579.5 697315.4 357003.8 608276 1844510.4 1950229.9 217202.5 431758.8 4261759.1 50530.1 190291.7 36671.3 1385681.7 373850.7 0 310785.8 35102.4 8217860.8 0 955887.5 770777.8 722168.7 860608.3 416444.5 0 734510.5 1494766.3 387193.5 1935670 0 1226278.6 0 3463298.9 1365182.3 6729317.3 290032.8 425436.4 285701.2 0 147170.8 761990.3 582336.9 356013.8 3687743.8 144808.1 71022.4 76748.4 830715.4 377962.3 1109273.7 124061.4 0 285212.2 505479.3 0 263429.9 61146.4 12-Hydroxydodecanoic acid 245990.2 215118.3 190151.5 171425.1 230466 240273.3 153995.6 120141 0 0 226893.3 233372.7 244242.9 140618.1 161332.1 0 59272.8 171956.5 223391.8 261169.7 191405.9 196396.8 216052.4 223540 173149.1 164247.6 246066.3 175735 221579.2 195539.7 0 214838.5 251205.9 93826.6 217540.4 164835.1 296758.6 221461.2 0 202180 136289.7 243336 65608.8 202066.9 58410.8 204311.5 227048.4 149571.7 190341.6 134617.7 170053 149599 214420.8 210018.9 174946.5 51143.3 168145.5 177874.5 190661.3 318723.8 165927.4 162800.7 144388 205860.9 230963.5 202768.6 202496.3 223688.6 186621.2 220623.9 192361.3 294434.3 138989.1 165430.8 49597.7 233943.6 208222.6 209898 233475.6 170592.8 223607 215842.5 90175.2 224704.3 222410.4 210042.5 281059.5 197532 250622.5 86522.5 279432.3 264545.4 224578.4 237182.3 154589.9 175250.3 191441 189204.3 170574.3 187641.7 134433.9 219449.8 243517.2 253581.9 155164.2 109055.6 292759.9 109145.9 266585.9 273019.3 244691.8 219410.1 247746.6 216232.6 78310.3 117638.1 225166 218424.9 175642.7 88534.7 187005.6 188456.4 245794.3 202547.5 95126.9 217413.6 227849.1 195124.3 186254.1 201279.9 211476.3 203736.5 133403.6 251915.1 104509.6 233781.8 221477.9 208131.1 305352.5 234496.3 200053.9 120472.7 147708.6 133725.7 180689.5 251746.2 192494.9 211954.1 309654.5 244662.8 259838.9 250407.2 163030.8 220936.5 109502.7 196590.5 174914.6 145076.9 199272.5 63792 226379 232608.8 134738.2 149987.5 220702.4 169389.6 123740.1 200037.1 160610.7 134236.9 212730.7 208849.2 218524.3 254238.1 198226 202541 198695.4 143549 136867.1 89169.8 224708.9 Pantothenic acid 815195.2 764440.5 0 516086.7 2379401.9 2208013.7 1624553.8 1460764.1 2850903.9 1632783.5 4705763.6 2136788 3466165 1543606 4291669.2 22301063.1 1627206.8 1152258.9 1005064.5 1904452.9 817435.1 2581489 2855976.5 3225670.2 0 920960.2 2128732.3 3772668.1 1521243.1 1772395.6 2047636.8 1393059.2 1123512.9 56792124.2 1388668.2 1359514.3 1782869.2 5693825.9 1623813.5 2387222.5 1289034.5 2244112 3826308.5 1275596.3 1809766.9 2058168 0 0 1087152.2 0 0 0 15716711.7 8083850 861237.9 684671 24528162.5 9109490.6 7228858.4 2222233.9 0 3412692.7 3281058.6 5204400.6 0 3054383.3 1466054.4 1790072.6 8981048.2 19395363.4 2614156.8 7040030.5 0 0 493239.7 16824951.5 0 5905481.8 10165461.5 176233.3 355906.8 5899626.4 871336.1 5064784.2 765111.9 1577418.3 312870.5 4955741.9 149076.7 42801 1772050.2 7380.3 654436.9 667675.2 0 0 0 0 0 0 477303.3 14252230.7 2220378.5 13171718.7 388785.6 62900.4 3931481.2 2178922.9 1846989.7 18640405.6 5387727.2 2082562.2 25578641.7 11073752.5 2402786.3 5112795.3 1569009.8 2463756.3 25446653.8 0 0 0 3542393.9 1123988 1800182.7 4257519.1 1175857.7 13051500.5 2286201.9 118512.7 3286302.8 1284887.7 1949785.5 1062829.7 2220742.5 2443608 1323060.9 0 3984886.4 1203802.9 214430 1647895.9 0 0 0 0 0 0 7969030 2185446 8278487.7 4206806.7 1747832.8 6382089.7 702670.9 3142728.2 1080679.5 1537024.3 44349717.5 4312427.1 3980473 1225842.3 4632265.9 1899021.4 2294499.8 4290687.7 1163690.7 1814531.5 669654.7 0 14881830 6216689.6 3322269.1 1826853.8 2237650.6 783121.8 2456653.2 24099.5 0 572178 0 Cystathionine 124305 150479.2 333734.5 181989.1 188762.3 1633295.7 649693.3 2068287.5 573795.3 1813063.6 752084.7 770118.3 555803.5 3057961 884836.4 403324.3 425161.8 755823.8 604190.1 189537.2 3845776.7 129130.4 377462.2 198211.9 165269.6 143841.5 496929.3 246757.8 2074619.5 492826.2 1292212.3 504072.2 326007 835963.3 6400824.5 154535.4 406482.4 176365 583143.4 529099.5 208673.7 314371.7 346634.9 251928.5 222875.2 1913893.7 151819.2 164015.4 274375.9 253710.5 373777.2 305887.7 334206.5 95062 182474.1 329388.7 241798 3267431.3 928855.7 842239.4 1468595.9 718125.7 636214.9 260040.7 1051594.1 557906.6 839233.2 4272141.3 1594261.5 408417.9 283419.2 898687.9 270819 182253.9 859861 2993137.1 1923496 653855.2 853223.3 1014570.5 863355.4 1087782.6 326509.2 586638.8 69095 1288816.9 244419.8 402700.6 450917.9 225790.6 308046.2 220829.4 348705.6 2590403.8 100864.6 48566.9 128327.4 272635.6 217831.1 223329.7 2147942.6 427701.9 545507 931662.8 280123.4 525153.1 197129.5 774459.4 899107.8 1119499.5 532070.8 6943377.8 987602.7 3166703 445278.9 580566.1 327684.2 900652 977737.1 796701.6 295889.2 356918.7 502090.6 463201.1 624055.9 2057877 245166.6 1058930.6 368578.6 283128.9 2129781.1 870439.7 510368.6 171504.2 428027.8 182968.1 1011408.3 445980.1 176682.9 271806.9 213761.2 1095149 218996.5 221585.8 207230.7 344088.7 315877.5 326913.3 5691059.1 394793 423842.1 462378.1 573613.3 1414518.8 1306758.4 566775.4 984030.7 4427993.6 438200.8 2365173.8 372347.5 670164.6 285405.7 654241.6 239365.1 836179.5 323353.4 700668.8 263771.2 255900.7 564868.9 341099.1 312516.7 359625.1 1210600 356766.1 443168.2 282945 245956.1 355627.2 364345.5 Methyl jasmonate 721355.6 770219.7 1049120.7 1412969.3 383417 414975 519365.4 336377.9 1132117.4 514836.1 1889023.3 1149604.2 1361913.3 409637.4 334099.6 430655.1 941648.8 398863.9 560538.8 305716 987284.6 1029338.5 1025273 341127.3 648215.4 819949.8 296399.4 1000054.9 418709 882594.2 480931.6 765201.7 452365.9 475347.6 957748.2 867642.6 343315.3 347062.4 94601.8 982028.2 1529494.4 719674.6 1142479.5 445838.7 697978.2 221756.4 293890.4 620635 631810.7 448035.3 476816.1 533453.6 1698975.8 640246.8 719427.6 702467 268370.1 653044.7 644680 782171.6 566293.7 906494.2 458084.8 572516.6 166197.9 827028.2 734114 396430.6 302182.1 719344.6 554119.9 1192977.3 445473.1 683882.7 2445284 836348.8 1488933 705141.2 695071.4 705141.2 731452.9 512343.5 381147.6 586364.9 374977.1 1142280.4 865403 827312 553558.3 432609.8 672350.6 713411.3 195336.6 778751 899714.1 762430.6 810882.5 696693.8 717880.3 573933.2 558748.7 1071509.7 621885.9 565381 778521.9 567513.7 685166.5 730252.9 471323 283664.3 444692.4 275860.2 555889.2 385329 371949.7 802084.3 690492 972839.7 595881.5 618458.9 527245.1 747135.4 601398.6 720400.2 750050.7 588160.8 687427 1045610.7 888667.5 462614.8 583332.6 347402.9 479224.2 494678 522478.2 297602.6 635481.9 502927.1 601247.1 671702.1 559655.9 2168374.6 2235317.2 1889690.3 1528841 1232032.1 1303111.7 1386691.1 584451.7 1328129.8 1126956.9 1093194.5 1032541.3 1564531.3 922285.9 536518.8 924497.9 1086824 383218.7 194623.1 168225.3 1053665.4 663089.8 192417.9 938817.3 834484.5 572299.3 683018.9 564209.7 921366.9 231022.4 130283.5 333043.9 159551.4 174186 652299.8 505759.3 738949 884676.7 601932.1 287364.6 Carnosine 1846881.4 17900404 23261165.9 22693302.1 8825953.9 13688948.4 7180096.7 7417091.3 6003185.6 11892757.1 9042752.7 8854509.3 5548803.6 7572526.6 7188180.5 4109260.7 6156524 4575313.5 8043214.4 7128715.9 11155033 4968908.6 7842157 6948496.6 16499998.4 16974866.4 8084131.2 11404468.3 5207919.2 8518606.1 8522929.1 11157711.7 8291907 0 11250978.8 6624311.7 8302296.2 7332176.2 6031563.4 7143474.2 3662964 8501382.9 8668555.5 6723870.9 3453562.1 8717700.4 18037279.4 17699436.5 25943040.4 17593214.5 19896274.9 19817857.6 5356300.1 5866265.8 7490874.7 11905826 4996005 16046807.3 6461729.7 7631373.3 7355065.4 9950570.6 11129102.1 8058158 13756556.6 4953554.1 8312455.9 15530003.2 8131014.4 13292380.8 9782505.6 11082654.9 16485012.6 15883175.8 1719368.2 13687265.1 7545785.9 14090899 5271564.9 11167122.4 7928724.5 5804038.8 11323674.6 4205886.8 303633.3 12670397.5 4035916.6 3017561.8 9942304.4 3280584 12124197.7 821646.6 3544465.9 10083351.8 13477617.7 13067627.3 15823777.6 20297354.1 16924898.8 16493798 4632868.2 9178530.2 9446845.3 7504029.1 3904221.1 2514842.1 8506239.8 7109224.8 9161702 20429199.8 8089044 15058047.2 6686061.8 10212739 6933558.1 13899876.5 9537810.8 7379303.8 13002680.9 9328274 19699640.2 20270954.4 4227018.5 3564401.7 6583331 7425020.3 7976160.4 5035718.4 4854906.6 5227314.8 7413190.4 7413222.1 12953975.5 2372271.6 15026774.9 3626559.9 5614153.1 10346873.7 5442196.4 4952262.1 5140004.1 16036948.1 15449163.9 15193319.9 16087473.8 18482591 14813654.5 14754476.1 20048900.6 4643278.4 5032545.2 6923348.5 3772868.7 17162684.1 19823435.6 1426003.3 14933193.1 9904316.1 8217924.5 17890605.7 9666528.8 10352657.8 1784128.3 8516710.3 5268301.8 7115399.3 5687788.2 8233567.4 12537708.9 11545116.9 5023418.4 6197516.7 5030702.6 5956973.9 10870359.7 6526046.4 6450218.2 13451254.6 12241839.4 17068647.5 1570645.3 Cystine 15325670.7 9033907.1 17013040 16643308.9 57354367.2 40191105 92185204 54977641.2 60203750 75765253.7 64481068.4 65779505.3 39958297.9 74832320.3 65924705.2 49822527.2 55006277.7 62444081.6 103513566.2 70171040.5 43006546 66287645.7 42293056.4 72683412.6 8931610.3 7726268.3 108776857.1 79308169.1 64741742.8 81204363.6 76082570.6 49207457.2 105612958.6 126001756.3 113971924.5 81698729.8 43798922 80329502.4 70928102.4 64131339.5 57753539.6 71812477.9 60800518.7 82648567.1 83284581.3 34007228.5 12352062.9 11105900.5 24310967.8 29463825.6 27444455.9 27074164.7 67174200.9 39797228.1 62172071.4 45000715.1 26888544.1 102536834.9 94838864.9 76209835.6 81477110.4 61295985 94751502.6 115441087.5 78705668.6 60832325.5 55850728.7 125126925.7 67043036.2 39004790.7 52328894.4 58606293.7 21482477.4 20512515 83983287.4 128350252.9 64589809.7 78174828.2 107741961 74625730.2 72541399.5 61859037.6 41680051.9 38567866.9 60974331.2 55814135.3 24079053.7 33537013.7 35221188.5 42528273.7 70714143.7 20596055.3 50533745.8 58169146.6 20500637 20207113.2 26440088.8 15798257.7 11786307.8 11584659.8 79117712.8 88596244.2 35272593.8 66338494.6 77772681.2 56556054.1 81689019.4 83816927.4 116402673.4 72497396.8 44186115.9 97477357.1 68540079.9 117155100.8 56216035.3 106424285.3 84778277 71466954.6 87684097.6 85662541.3 14313542 14606104.3 76046164.2 84338254.6 72925281.9 92604929.7 89759050.3 84059324.6 49928586.6 50283262.5 40375893.9 29443860.5 59842942.9 43828232.4 51981535 41068589.7 63781246.5 32631467.2 40711043.6 50458847.6 57461116.1 59160538.2 13255954.1 12831765.5 10976919.3 31128605.6 23746178.6 24563131.3 77651955 64329596.9 53963918.5 66509221.8 112544637.1 119205360.7 119699775.8 57384701.2 79595531 101818778.7 28392936.7 112480446.2 63811753.7 49276423 51729707.7 75887333.4 39130138.4 61718847.7 46456437.4 65133694.5 18966477.8 17830579.1 47538723 47275591.3 67666881.7 52289984.2 75728833.2 66699402 67832928.8 21599832.6 19746011.2 36979477.5 44674169.7 Anserine 0 733081 251059.4 253815.9 0 3018160.2 1845834.2 1632776.8 0 70552.6 2000283.6 774344.7 0 633072.6 721834.3 296228.8 668434.4 237573.4 0 156956.3 453430.2 0 308294.2 93676.3 137234 199292.4 1043062 552630.5 0 1061466.8 1294187 526807.8 0 2039904.4 559778.7 2300279.1 906227.2 0 0 440387.9 0 401250.8 743493.3 856821 510674 1676291.6 216518 164207 1308521.2 597274.6 450122.8 453001.8 0 0 499483.8 0 364655.1 593361.8 4304482.6 506137.4 537922.4 0 0 480805.1 938690.1 0 668081.4 0 602886.8 3059810.7 592047.2 731189.4 379788.4 409542.5 0 778966.6 0 422738.1 0 478503.3 553191.1 538940.7 867800.4 1025896.6 0 558389.8 514065.7 0 504103.3 0 0 1280884 1275156.3 542111.7 309922.5 359701.8 499603.3 697228.1 172597.2 271681.3 317616.1 0 327627.7 1212929.9 642319 2227968.5 0 0 2945352 1036381.1 0 863138.6 256941.7 823495.6 414660.3 604889.5 198728.8 0 721616.9 198399.1 386495.7 346003.8 557020.4 690409.2 0 458826.9 0 0 2150707.1 1970994.7 1355407.6 2658613.1 582165.8 124212.4 224492.5 2100060.2 208285.3 187085.8 425201.5 0 0 671081.1 178358.9 187991.2 441516.8 911060.6 341697.3 308825 3660119.5 831342.1 0 278927 1716234.2 687909.2 931596.2 519124.5 914872.1 705313.1 1149362.9 641337.6 338173.8 0 0 797211.1 0 0 335169.7 1105195.7 252321 252180 714080.3 0 0 0 557202.8 0 499411.2 261557.2 428544.5 791642.3 0 Cytidine 23-cyclic phosphate 0 0 0 259073.7 0 0 0 0 0 0 0 0 1031896.5 0 827198.2 0 0 0 0 0 0 0 0 0 85785.7 0 0 574574.4 0 0 0 1099286.7 66277.9 3426193.4 0 0 0 0 0 7295678.7 0 805762.9 0 0 0 0 260371.3 149870.7 0 0 589297.9 663585.7 0 0 1082484.4 0 1071092 0 570946.3 0 325968.5 0 9072636.5 0 946778.6 0 274365.4 0 457060.3 0 0 0 0 0 429479.7 0 0 1351405.5 966822.8 0 0 696883.2 0 0 0 0 877645.6 453863.2 0 0 0 678168.6 0 0 540632.7 629524.7 0 0 576032.9 0 656240.8 0 387187.4 0 0 0 0 0 0 0 0 0 0 0 435612.6 0 989206.6 0 2028456.7 0 0 0 0 0 0 0 0 1365512.5 1514204.4 425958.3 0 0 700179.8 2101055.2 0 0 0 0 0 0 0 0 0 762253.3 1911333.9 0 587625.4 0 407290.8 2021145.5 0 1028593.7 0 0 285566.9 0 236749.7 252803.5 0 0 581671.8 8012515.1 2249344.5 0 0 1709344.9 2285943.7 0 402090.9 39146.6 0 0 0 0 0 0 0 541275.1 831004.4 851889.8 55758.1 Cytidine monophosphate 0 260669.4 0 0 0 70967.7 246588.3 267293 745958.9 5263.2 348255.5 59923.7 116746.3 202992.6 455324.2 127847.9 0 117470.7 0 0 33839.8 0 1319692.7 0 0 0 0 0 0 0 0 95832.6 0 4542045.7 0 57067.2 62631 63619.1 0 963801.2 500353.4 0 180791.5 109960.4 0 0 0 0 485014.9 428596 0 0 0 0 0 0 0 0 0 0 466770.9 214993.4 1300378.4 0 518643 0 0 1372177.6 0 73079 124427.4 0 0 0 0 0 0 0 0 0 83059.1 0 192108.6 0 0 0 0 0 0 0 0 0 0 0 0 0 274934 638139.7 0 0 0 0 0 0 0 201060.5 0 0 0 846800.9 0 0 1749439.2 0 105461.3 0 243341.1 456856.4 222066.1 0 0 0 233540.2 0 0 0 0 0 0 0 0 560224.2 0 0 244048.8 0 0 0 0 333271.6 0 0 0 0 483702.5 472164.9 0 0 0 0 0 133178.7 182071.6 442583.1 0 0 0 80878.2 522811.9 44258 0 1363934.2 3011762.2 0 0 0 291223.5 0 0 0 0 591904.5 0 81693.9 32231.2 0 0 0 0 459290.7 0 2-Deoxyguanosine 5-monophosphate 0 3653812.7 861903.4 863059.6 34347507.5 1862099.9 922046.8 34680896 45672674.8 879914.8 14522695.4 777529.7 2135453.9 17556081.2 10781359.8 10553331.3 572667.4 238385.2 604679.1 0 1389665.3 753101.9 7050576 557676.4 1209542.2 1293507.4 1377590.6 807954.4 1524049.4 1181771.4 942531.3 3622118.7 3058975.7 266952.6 541442 1224071 612127.5 4903711.1 0 2672150.6 21114843.1 658929.7 9742821.2 1185385.3 178906.4 1030192.7 1341241.1 1466388.8 9603341.6 12043307 1912846.7 1630482.7 1735761.3 4634856.3 1048688.3 469025.1 1554119 7245026.7 3631128.8 4890671.4 12398696.1 8239559.5 5620185.2 10342087.2 44254473.4 1626901.2 3470194.1 45491120.3 3047622.7 1387173 1848465.6 2749807.3 1960186.7 1419340.3 2451868.5 23061372.1 938189.4 2377032.2 3080927.2 1777780.1 1639706.5 941310.5 14779479.5 805514 717579 969332.3 442459 1992627.4 1148198.5 1443618.7 3710986.5 491541.3 1718015.6 1611193.7 968487 1401342.5 9856705.9 18146846.6 2117798.6 2011666.4 900536.1 12908234.7 1303798.7 334022 715661.2 2174383.2 820240.6 1925112.6 1588881.2 11294213.3 7213798 2407123.7 1869372.7 1056715.5 2862347.7 1777377.4 3700869.5 4758792.6 5003993.9 270666.4 2390792 2901529.6 1796540.1 4742021.6 1485836.9 11926714.1 840136.4 1109921.2 2098013 3001061.3 1359653.2 12060119.9 743052.2 845823.2 43952237.6 296977.6 1093955.3 1379506.3 5388735.8 41373779.5 359451.7 16274059.8 1669840.7 1807904.9 13504201 12152329.9 1243259.9 1241392.3 2036680.4 1305646.8 693787 1987633 1638367.4 31741141.4 12695731.9 2113552.9 551300.5 5895601.5 17670159.2 11446829 5318857 184843.7 3056945.9 740754.4 430930 758550.7 5050381.6 2734183 1007390 976877.9 1534767.6 48458855.8 386262.1 9792288.9 3694406.5 315351.3 839572.8 486499.8 921667.9 11820416.3 0 Glycocholic acid 0 1737062.1 0 0 2561170.3 2239763.8 2873359.2 1753406.1 1208662 3050824.5 0 5751935.7 1986240.2 142795.1 1768158.9 9453807.2 8845360.6 1849256.7 5432913.5 2248974.8 2062299.4 0 8712464.3 1060510.1 0 0 1900648.6 1271811.3 5395517.1 6276181.7 4016936.4 3561982.4 334038.3 6850583.1 1221361.8 2241252.8 1802071.6 2951442.7 5587621.7 3760409.4 2285039 3692327.6 0 879113.2 1152472.4 1629292 0 0 5780235.5 3415998.3 191747.8 0 0 2483562.5 5042020.9 267702.3 2196013.7 2614931.3 1577066.1 1950443.8 3088444.8 2742568.4 2324316.1 2461377.5 2596548.2 3393848.7 5087109.4 5236834.4 2492043.6 10596996.6 1200285.5 2209584.3 0 0 3186341.9 3363790.7 3275298.7 3087713.4 1442952.7 3685507.8 1448064.9 0 688634.7 5012392.2 2097467.4 1249915.1 3656416.3 5734534.8 0 5319163.9 266021.4 5129767.3 6641786.5 10291450.9 0 0 3740711.6 3086163.8 1368776.6 1420730.9 11821111.3 1911565.4 2176222.7 5248283 4925625.6 12894444.2 2989877.5 3499259.8 0 4981830.4 1358143.7 3406635.4 1506206.5 1985997.3 3166337.2 0 2031658.6 1285173.6 1512645.5 3078487.4 0 1104904.2 1708338.6 4108180.6 1448071.3 2760523.6 2705524.6 0 2416271 3955631.7 754292.5 9362999.3 2563212.4 5018295.8 1110161.7 1340518.8 3032831.4 1533892.1 2084933.9 1940047.1 4489639.2 990806.5 966525 820138.2 2310610.2 3376853.5 797229.6 765857.2 3874798.5 4824877.1 0 6409757.6 2003833.4 2443991 1281737.3 3984767.6 961673.4 2851945.1 4193909.6 1867441.3 3673153 1496215.5 2506686.3 11316661.2 1491565.5 2564172.1 4570934.9 2784972.7 1085872.3 734075.5 2259233.9 9614817.6 859821.5 1052028.5 2990312.6 4411706.4 2254093 1255064.5 0 3434250.5 1143001.2 Citicoline 0 200840.1 0 0 637813.4 159904.5 184500.3 382898.5 425089.7 0 23349.8 17753.9 0 430849.6 564666.5 673902.3 44861.3 0 0 0 0 0 290494.5 0 0 0 117334.7 0 0 0 0 35197.7 96839.4 548824.1 0 0 248737 70041.9 0 448891.8 937084.6 0 102339.9 0 0 0 0 0 487479.9 283817.3 0 0 0 0 0 0 0 237767.6 145525.9 133608.2 48156.5 0 232367.7 375049.6 1003812.4 0 356689.1 496843.3 101197.1 172038.2 68014.4 52325.2 0 0 0 572456.3 75664.1 183062.3 0 410137.1 244727.9 0 367444.2 0 26071.6 0 0 0 932231.4 0 37281.7 52165.8 33353 0 0 0 183799.3 480712.8 0 0 0 0 55007.1 0 0 295458 0 0 0 1014169.6 176562.8 0 88017.3 0 0 0 160317.1 272026.9 108934.7 0 0 0 0 0 167772.6 0 0 0 60641.4 163651.7 0 0 0 102058.8 574480.7 0 97297.5 0 0 202177.1 0 0 0 0 290821.2 378297 0 0 0 70157.4 0 80262.5 106129.7 778989.8 261275.8 0 0 169598.6 278018.8 0 0 241844.4 806413.9 87856.5 0 0 175801.2 243153.9 209077 0 99512.2 828347.7 0 65498.6 64429.7 0 100115.5 52697.7 0 389410.2 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name chemical_ID InChiKey mz retention time MSIcategory Adduct Cadaverine HMDB02322 VHRGRCVQAFMJIZ-UHFFFAOYSA-N 103.1233 79.3 1 M+H Benzylamine HMDB33871 InChIKey=WGQKYBSKWIADBV-UHFFFAOYSA-N 108.0808 24.4 1 M+H Acetylglycine HMDB00532 InChIKey=OKJIRPAQVSHGFK-UHFFFAOYSA-N 118.0499 41.1 1 M+H Cinnamaldehyde HMDB03441 InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N 133.0648 21.2 1 M+H Ornithine HMDB00214 InChIKey=AHLPHDHHMVZTML-BYPYZUCNSA-N 133.0971 119.5 1 M+H Phenylacetic acid HMDB00209 InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N 137.0598 23.4 1 M+H Spermidine HMDB01257 InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-N 146.1652 107.7 1 M+H Lysine HMDB00182 InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-N 147.1128 113 1 M+H Glutamic acid HMDB00148 InChIKey=WHUUTDBJXJRKMK-VKHMYHEASA-N 148.0604 94.4 1 M+H 24-Dihydroxyacetophenone HMDB29659 InChIKey=SULYEHHGGXARJS-UHFFFAOYSA-N 153.0546 26.7 1 M+H 3-Sulfinoalanine HMDB00996 InChIKey=WVMUCBHSEHBMKA-REOHCLBHSA-N 154.0169 131.7 1 M+H Histidine HMDB00177 InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N 156.0767 112.9 1 M+H Aminoadipic acid HMDB00510 InChIKey=OYIFNHCXNCRBQI-UHFFFAOYSA-N 162.076 88.1 1 M+H Carnitine HMDB00062 InChIKey=PHIQHXFUZVPYII-ZCFIWIBFSA-N 162.1125 76.6 1 M+H 5-Hydroxylysine HMDB00450 InChIKey=YSMODUONRAFBET-UHNVWZDZSA-N 163.1078 142.8 1 M+H Pyridoxal HMDB01545 InChIKey=RADKZDMFGJYCBB-UHFFFAOYSA-N 168.0656 46.3 1 M+H 3-Methoxytyramine HMDB00022 InChIKey=DIVQKHQLANKJQO-UHFFFAOYSA-N 168.1019 33.5 1 M+H 1-Methylhistidine HMDB00001 InChIKey=BRMWTNUJHUMWMS-LURJTMIESA-N 170.0924 104.2 1 M+H Quinaldic acid HMDB00842 InChIKey=LOAUVZALPPNFOQ-UHFFFAOYSA-N 174.055 40.4 1 M+H N-Acetylleucine HMDB11756 InChIKey=WXNXCEHXYPACJF-ZETCQYMHSA-N 174.1125 35.5 1 M+H Arginine HMDB00517 InChIKey=ODKSFYDXXFIFQN-BYPYZUCNSA-N 175.119 109.4 1 M+H N-Acetyl-L-aspartic acid HMDB00812 InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-N 176.0563 48.8 1 M+H Indoleacetic acid HMDB00197 InChIKey=SEOVTRFCIGRIMH-UHFFFAOYSA-N 176.0706 44.2 1 M+H Citrulline HMDB00904 InChIKey=RHGKLRLOHDJJDR-BYPYZUCNSA-N 176.103 105.8 1 M+H Serotonin HMDB00259 InChIKey=QZAYGJVTTNCVMB-UHFFFAOYSA-N 177.1023 44.5 1 M+H Glucosamine HMDB01514 InChIKey=MSWZFWKMSRAUBD-IVMDWMLBSA-N 180.0867 95.2 1 M+H N-Alpha-acetyllysine HMDB00446 InChIKey=VEYYWZRYIYDQJM-UHFFFAOYSA-N 189.1233 89.4 1 M+H N6N6N6-Trimethyl-L-lysine HMDB01325 InChIKey=MXNRLFUSFKVQSK-QMMMGPOBSA-N 189.1598 103.8 1 M+H Kynurenic acid HMDB00715 InChIKey=HCZHHEIFKROPDY-UHFFFAOYSA-N 190.0499 57.3 1 M+H Acetylcarnitine HMDB00201 InChIKey=RDHQFKQIGNGIED-UHFFFAOYSA-N 204.123 68.3 1 M+H N-Acetyl-L-phenylalanine HMDB00512 InChIKey=CBQJSKKFNMDLON-JTQLQIEISA-N 208.0968 43.2 1 M+H Phosphocreatine HMDB01511 InChIKey=DRBBFCLWYRJSJZ-UHFFFAOYSA-N 212.0432 123.9 1 M+H 12-Hydroxydodecanoic acid HMDB02059 InChIKey=ZDHCZVWCTKTBRY-UHFFFAOYSA-N 217.1797 24.2 1 M+H Pantothenic acid HMDB00210 InChIKey=GHOKWGTUZJEAQD-UHFFFAOYSA-N 220.1179 50.4 1 M+H Cystathionine HMDB00099 InChIKey=ILRYLPWNYFXEMH-WHFBIAKZSA-N 223.0746 196.2 1 M+H Methyl jasmonate HMDB36583 InChIKey=GEWDNTWNSAZUDX-LEPXEHPDNA-N 225.1485 31.3 1 M+H Carnosine HMDB00033 InChIKey=CQOVPNPJLQNMDC-ZETCQYMHSA-N 227.1137 103.7 1 M+H Cystine HMDB00192 InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N 241.0309 218.3 1 M+H Anserine HMDB00194 InChIKey=MYYIAHXIVFADCU-QMMMGPOBSA-N 241.1292 98.2 1 M+H Cytidine 23-cyclic phosphate HMDB11691 InChIKey=NMPZCCZXCOMSDQ-ZRTZXPPTSA-N 306.049 111.2 1 M+H Cytidine monophosphate HMDB00095 InChIKey=IERHLVCPSMICTF-XVFCMESISA-N 324.0582 276.8 1 M+H 2-Deoxyguanosine 5-monophosphate HMDB01044 InChIKey=LTFMZDNNPPEQNG-KVQBGUIXSA-N 348.0698 189.3 1 M+H Glycocholic acid HMDB00138 InChIKey=RFDAIACWWDREDC-MZMBZMQMSA-N 466.3153 52 1 M+H Citicoline HMDB01413 InChIKey=RZZPDXZPRHQOCG-OJAKKHQRSA-N 489.113 289 1 M+H METABOLITES_END #END