#METABOLOMICS WORKBENCH jixiaowen4321_20240926_134526 DATATRACK_ID:5231 STUDY_ID:ST003616 ANALYSIS_ID:AN005942 PROJECT_ID:PR002235 VERSION 1 CREATED_ON December 9, 2024, 7:08 pm #PROJECT PR:PROJECT_TITLE An insight into the chemical exposome during pregnancy PR:PROJECT_TYPE Research PR:PROJECT_SUMMARY This project focuses on the non-targeted analysis of serum and placenta samples PR:PROJECT_SUMMARY from pregnant women to identify exogenous chemicals. PR:INSTITUTE NYU Grossman School of Medicine PR:DEPARTMENT Department of Pediatrics PR:LABORATORY MS6 98 PR:LAST_NAME Xiaowen PR:FIRST_NAME Ji PR:ADDRESS 550 1st Ave PR:EMAIL jix01@nyu.edu; Xiaowen.Ji@nyulangone.org PR:PHONE 3476227357 PR:FUNDING_SOURCE K99/R00 ES032892-01 PR:CONTRIBUTORS Xiaowen Ji, Mathusa Lakuleswaran, Dimitri Abrahamsson #STUDY ST:STUDY_TITLE Non-Targeted Analysis of the Chemical Exposome During Pregnancy Using ST:STUDY_TITLE High-Resolution Mass Spectrometry ST:STUDY_TYPE Research ST:STUDY_SUMMARY The widespread use of human-made chemicals in daily life leads to chronic ST:STUDY_SUMMARY exposure to complex mixtures of potentially harmful substances. To investigate ST:STUDY_SUMMARY chemical exposures among pregnant women in New York City, we applied a ST:STUDY_SUMMARY non-targeted analysis (NTA) workflow to 83 paired prenatal placenta and serum ST:STUDY_SUMMARY samples (including 30 preterm birth pairs) collected through the New York ST:STUDY_SUMMARY University Children’s Health and Environment Study. Our objectives were to: i) ST:STUDY_SUMMARY characterize chemical exposures in this population, ii) compare chemical ST:STUDY_SUMMARY profiles between placenta and serum samples as well as between preterm and term ST:STUDY_SUMMARY births, and iii) examine potential associations between exogenous chemicals and ST:STUDY_SUMMARY endogenous metabolites. ST:INSTITUTE NYU Grossman School of Medicine ST:DEPARTMENT Division of Environmental Pediatrics, Department of Pediatrics ST:LAST_NAME Xiaowen ST:FIRST_NAME Ji ST:ADDRESS NYU Medical Science Building, 6th Floor, 540 1st Ave., New York, NY 10016 ST:EMAIL jix01@nyu.edu; xiaowen.ji@nyulangone.org ST:PHONE 3476227357 ST:TOTAL_SUBJECTS 83 ST:NUM_FEMALES 83 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female SU:HUMAN_ETHNICITY hispanic, asian, white, other #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS N01000 P-Batch-1-Preterm-1 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-1; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01152 P-Batch-1-Preterm-2 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-2; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01199 P-Batch-1-Term-3 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-3; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01221 P-Batch-1-Term-4 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-4; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01251 P-Batch-1-Term-5 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-5; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01425 P-Batch-1-Preterm-6 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-6; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01450 P-Batch-1-Preterm-7 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-7; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02597 P-Batch-1-Term-8 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-8; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02591 P-Batch-1-Term-9 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-9; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02334 P-Batch-1-Term-10 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-10; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02376 P-Batch-1-Term-11 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-11; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02665 P-Batch-1-Preterm-12 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-12; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02225 P-Batch-1-Term-13 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02322 P-Batch-1-Term-14 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02332 P-Batch-1-Term-15 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-15; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02385 P-Batch-1-Preterm-16 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02385 P-Batch-1-Preterm-17 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Preterm-17; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02360 P-Batch-1-Term-18 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-18; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02439 P-Batch-1-Term-19 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-19; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02445 P-Batch-1-Term-20 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-1-Term-20; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02428 P-Batch-2-Term-1 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-1; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02402 P-Batch-2-Term-2 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-2; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02485 P-Batch-2-Term-3 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-3; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02680 P-Batch-2-Preterm-4 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-4; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02548 P-Batch-2-Term-5 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-5; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03561 P-Batch-2-Preterm-6 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-6; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03516 P-Batch-2-Term-7 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-7; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N03720 P-Batch-2-Preterm-8 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-8; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00916 P-Batch-2-Term-9 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-9; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02473 P-Batch-2-Preterm-10 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02415 P-Batch-2-Term-11 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-11; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02533 P-Batch-2-Term-12 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-12; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02462 P-Batch-2-Term-13 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01981 P-Batch-2-Preterm-14 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-14; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00746 P-Batch-2-Preterm-15 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-15; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00541 P-Batch-2-Preterm-16 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03121 P-Batch-2-Preterm-17 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-17; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N03128 P-Batch-2-Term-18 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Term-18; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03333 P-Batch-2-Preterm-19 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00223 P-Batch-2-Preterm-20 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-2-Preterm-20; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00143 P-Batch-3-Term-1 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-1; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N00478 P-Batch-3-Term-2 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-2; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00224 P-Batch-3-Preterm-3 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-3; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01543 P-Batch-3-Preterm-4 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-4; Race_Ethnic=Other SUBJECT_SAMPLE_FACTORS N01505 P-Batch-3-Term-5 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-5; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01454 P-Batch-3-Term-6 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-6; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01500 P-Batch-3-Term-7 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-7; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01428 P-Batch-3-Term-8 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-8; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03364 P-Batch-3-Term-9 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-9; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03352 P-Batch-3-Preterm-10 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02346 P-Batch-3-Term-11 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-11; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02135 P-Batch-3-Term-12 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-12; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01570 P-Batch-3-Term-13 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-13; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01633 P-Batch-3-Term-14 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N00313 P-Batch-3-Preterm-15 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-15; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01030 P-Batch-3-Preterm-16 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02165 P-Batch-3-Preterm-17 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Preterm-17; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02331 P-Batch-3-Term-18 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-18; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02054 P-Batch-3-Term-19 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02119 P-Batch-3-Term-20 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-3-Term-20; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02147 P-Batch-4-Term-1 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-1; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02131 P-Batch-4-Term-2 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-2; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02183 P-Batch-4-Preterm-3 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-3; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01734 P-Batch-4-Term-4 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-4; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01797 P-Batch-4-Term-5 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-5; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01585 P-Batch-4-Term-6 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-6; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01577 P-Batch-4-Term-7 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-7; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01529 P-Batch-4-Term-8 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-8; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02173 P-Batch-4-Term-9 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-9; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02193 P-Batch-4-Term-10 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02187 P-Batch-4-Term-11 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-11; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02082 P-Batch-4-Term-12 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-12; Race_Ethnic=Non-Hispanic Black SUBJECT_SAMPLE_FACTORS N02151 P-Batch-4-Preterm-13 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02049 P-Batch-4-Term-14 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02084 P-Batch-4-Term-15 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-15; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02063 P-Batch-4-Term-16 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-16; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02206 P-Batch-4-Preterm-17 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-17; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02326 P-Batch-4-Preterm-18 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-18; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02687 P-Batch-4-Preterm-19 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01979 P-Batch-4-Term-20 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-20; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02186 P-Batch-4-Preterm-21 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-21; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02186 P-Batch-4-Preterm-22 Gestation term:Preterm | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Preterm-22; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02007 P-Batch-4-Term-23 Gestation term:Term | Sample source:placenta RAW_FILE_NAME(Raw file name-1)=P-Batch-4-Term-23; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01000 S-Batch-1-Preterm-1 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-1; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01152 S-Batch-1-Preterm-2 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-2; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01199 S-Batch-1-Term-3 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-3; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01221 S-Batch-1-Term-4 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-4; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01251 S-Batch-1-Term-5 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-5; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01425 S-Batch-1-Preterm-6 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-6; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01450 S-Batch-1-Preterm-7 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-7; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02597 S-Batch-1-Term-8 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-8; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02591 S-Batch-1-Term-9 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-9; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02334 S-Batch-1-Term-10 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-10; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02376 S-Batch-1-Term-11 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-11; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02665 S-Batch-1-Preterm-12 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-12; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02225 S-Batch-1-Term-13 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02322 S-Batch-1-Term-14 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02332 S-Batch-1-Term-15 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-15; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02385 S-Batch-1-Preterm-16 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02385 S-Batch-1-Preterm-17 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Preterm-17; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02360 S-Batch-1-Term-18 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-18; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02439 S-Batch-1-Term-19 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-19; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02445 S-Batch-1-Term-20 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-1-Term-20; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02428 S-Batch-2-Term-1 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-1; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02402 S-Batch-2-Term-2 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-2; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02485 S-Batch-2-Term-3 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-3; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02680 S-Batch-2-Preterm-4 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-4; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02548 S-Batch-2-Term-5 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-5; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03561 S-Batch-2-Preterm-6 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-6; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03516 S-Batch-2-Term-7 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-7; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N03720 S-Batch-2-Preterm-8 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-8; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00916 S-Batch-2-Term-9 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-9; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02473 S-Batch-2-Preterm-10 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02415 S-Batch-2-Term-11 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-11; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02533 S-Batch-2-Term-12 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-12; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02462 S-Batch-2-Term-13 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01981 S-Batch-2-Preterm-14 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-14; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00746 S-Batch-2-Preterm-15 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-15; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N00541 S-Batch-2-Preterm-16 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03121 S-Batch-2-Preterm-17 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-17; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N03128 S-Batch-2-Term-18 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Term-18; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03333 S-Batch-2-Preterm-19 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00223 S-Batch-2-Preterm-20 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-2-Preterm-20; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00143 S-Batch-3-Term-1 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-1; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N00478 S-Batch-3-Term-2 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-2; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N00224 S-Batch-3-Preterm-3 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-3; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01543 S-Batch-3-Preterm-4 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-4; Race_Ethnic=Other SUBJECT_SAMPLE_FACTORS N01505 S-Batch-3-Term-5 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-5; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01454 S-Batch-3-Term-6 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-6; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01500 S-Batch-3-Term-7 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-7; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01428 S-Batch-3-Term-8 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-8; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03364 S-Batch-3-Term-9 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-9; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N03352 S-Batch-3-Preterm-10 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02346 S-Batch-3-Term-11 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-11; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02135 S-Batch-3-Term-12 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-12; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01570 S-Batch-3-Term-13 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-13; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01633 S-Batch-3-Term-14 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N00313 S-Batch-3-Preterm-15 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-15; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01030 S-Batch-3-Preterm-16 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-16; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02165 S-Batch-3-Preterm-17 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Preterm-17; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02331 S-Batch-3-Term-18 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-18; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02054 S-Batch-3-Term-19 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02119 S-Batch-3-Term-20 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-3-Term-20; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02147 S-Batch-4-Term-1 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-1; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02131 S-Batch-4-Term-2 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-2; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02183 S-Batch-4-Preterm-3 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-3; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01734 S-Batch-4-Term-4 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-4; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01797 S-Batch-4-Term-5 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-5; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N01585 S-Batch-4-Term-6 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-6; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01577 S-Batch-4-Term-7 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-7; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01529 S-Batch-4-Term-8 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-8; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02173 S-Batch-4-Term-9 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-9; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02193 S-Batch-4-Term-10 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-10; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02187 S-Batch-4-Term-11 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-11; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02082 S-Batch-4-Term-12 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-12; Race_Ethnic=Non-Hispanic Black SUBJECT_SAMPLE_FACTORS N02151 S-Batch-4-Preterm-13 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-13; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02049 S-Batch-4-Term-14 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-14; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02084 S-Batch-4-Term-15 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-15; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02063 S-Batch-4-Term-16 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-16; Race_Ethnic=Asian SUBJECT_SAMPLE_FACTORS N02206 S-Batch-4-Preterm-17 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-17; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02326 S-Batch-4-Preterm-18 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-18; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N02687 S-Batch-4-Preterm-19 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-19; Race_Ethnic=Hispanic SUBJECT_SAMPLE_FACTORS N01979 S-Batch-4-Term-20 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-20; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02186 S-Batch-4-Preterm-21 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-21; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02186 S-Batch-4-Preterm-22 Gestation term:Preterm | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Preterm-22; Race_Ethnic=Non-Hispanic White SUBJECT_SAMPLE_FACTORS N02007 S-Batch-4-Term-23 Gestation term:Term | Sample source:Serum RAW_FILE_NAME(Raw file name-1)=S-Batch-4-Term-23; Race_Ethnic=Hispanic #COLLECTION CO:COLLECTION_SUMMARY The NYU CHES is an ongoing pregnancy and birth cohort study that began in March CO:COLLECTION_SUMMARY 2016. It enrolls pregnant participants over 18 years old and under 18 weeks of CO:COLLECTION_SUMMARY gestation from hospitals like NYU Brooklyn, Bellevue, and NYU Manhattan. CO:COLLECTION_SUMMARY Placenta samples were collected immediately after birth, and third-trimester CO:COLLECTION_SUMMARY serum samples were obtained. Placental cores (1.1–4.8 g, with one at 15 g) CO:COLLECTION_SUMMARY were excised from the umbilical cord by CHES staff following hospital protocols. CO:SAMPLE_TYPE Placenta; Blood (serum) CO:COLLECTION_LOCATION NYU Brooklyn, Bellevue, and NYU Manhattan CO:COLLECTION_DURATION The placenta was collected immediately after birth, and serum samples were CO:COLLECTION_DURATION obtained during the third trimester of pregnancy CO:STORAGE_CONDITIONS -80℃ CO:ADDITIVES None #TREATMENT TR:TREATMENT_SUMMARY No Treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The preparation of placental tissues and serum for LC-MS analysis involved a SP:SAMPLEPREP_SUMMARY series of precise steps. Thawed placental tissues were homogenized with SP:SAMPLEPREP_SUMMARY anhydrous Na₂SO₄ using a Tissuemiser Homogenizer. Extraction was performed SP:SAMPLEPREP_SUMMARY with 100% methanol, employing ultrasound treatment for 10 minutes. The samples SP:SAMPLEPREP_SUMMARY underwent three extraction cycles, with centrifugation at 14,000 rpm for 10 SP:SAMPLEPREP_SUMMARY minutes after each step, and the combined supernatants were collected. Serum SP:SAMPLEPREP_SUMMARY samples, after thorough vortexing, were processed by adding methanol (400 µL to SP:SAMPLEPREP_SUMMARY 100 µL of serum), followed by centrifugation at 13,400 rpm for 5 minutes to SP:SAMPLEPREP_SUMMARY remove lipoprotein precipitates. Both placental and serum extracts were cleaned SP:SAMPLEPREP_SUMMARY using Oasis HLB solid-phase extraction (SPE) cartridges. The extracts were SP:SAMPLEPREP_SUMMARY diluted (placenta: 300 mL, serum: 6 mL) and loaded onto preconditioned SP:SAMPLEPREP_SUMMARY cartridges at a flow rate of ≤1 mL/min. After washing with water and 5% SP:SAMPLEPREP_SUMMARY methanol, the cartridges were vacuum-dried and eluted with methanol. The eluates SP:SAMPLEPREP_SUMMARY were evaporated under nitrogen at 35°C and reconstituted in a 1:1 SP:SAMPLEPREP_SUMMARY methanol-water mixture. Prior to LC-MS analysis, the reconstituted samples were SP:SAMPLEPREP_SUMMARY filtered through PTFE syringe filters to ensure removal of particulate matter. SP:SAMPLEPREP_SUMMARY This method provides clean, concentrated extracts suitable for small molecule SP:SAMPLEPREP_SUMMARY analysis. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACT_STORAGE -20℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Ascentis C18 HPLC (150 × 2.1 mm, 3um) CH:SOLVENT_A 5% methanol/95% water; 0.1% Formic acid CH:SOLVENT_B 100% methanol; 0.1% Formic acid CH:FLOW_GRADIENT The gradient increased from 5% to 100% B over 15 minutes, held for 5 minutes, CH:FLOW_GRADIENT and returned to initial conditions for re-equilibration from 20.1 to 25 minutes. CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS AN:DATA_FORMAT .raw #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS sheath gas flow 35, auxiliary gas flow 10, sweep gas flow 1, vaporizer MS:MS_COMMENTS temperature 400 °C, spray voltage 2000 V, S-lens RF level 70%, and ion transfer MS:MS_COMMENTS tube temperature 350 °C. Full MS and data-dependent MS² (ddMS²) spectra were MS:MS_COMMENTS acquired with a resolution of 90,000 for Full MS and 12,000 for ddMS², MS:MS_COMMENTS normalized AGC target (standard), auto maximum injection time, normalized HCD MS:MS_COMMENTS collision energy of 30%, 50%, and 70%, Full MS scan range of 100–1000 m/z, and MS:MS_COMMENTS a ddMS² isolation window of 0.7 m/z with 10 scans. MS:MS_RESULTS_FILE ST003616_AN005942_Results.txt UNITS:Abundance Has m/z:Yes Has RT:Yes RT units:Minutes #END