#METABOLOMICS WORKBENCH kcontrep_20210202_190806_mwtab.txt DATATRACK_ID:2445 STUDY_ID:ST001681 ANALYSIS_ID:AN002744 PROJECT_ID:PR001080 VERSION 1 CREATED_ON February 4, 2021, 11:40 am #PROJECT PR:PROJECT_TITLE Untargeted plasma metabolomics to predict the time to spontaneous onset of labor PR:PROJECT_SUMMARY Longitudinal blood collection during the last 100 days of pregnancy and PR:PROJECT_SUMMARY untargeted LC-MS metabolomics to predict the time to spontaneous onset of labor PR:INSTITUTE Stanford University PR:DEPARTMENT Genetics PR:LAST_NAME Contrepois PR:FIRST_NAME Kevin PR:ADDRESS 1291 Welch rd, Biomedical innovations building-Room 4400, STANFORD, California, PR:ADDRESS 94305, USA PR:EMAIL kcontrep@stanford.edu PR:PHONE 6507239914 #STUDY ST:STUDY_TITLE Integrated trajectories of the maternal metabolome, proteome, and immunome ST:STUDY_TITLE predict labor onset ST:STUDY_SUMMARY Estimating the time of delivery is of high clinical importance as pre- and ST:STUDY_SUMMARY post-term deviations are associated with complications for the mother and her ST:STUDY_SUMMARY offspring. However, current estimation approaches are inaccurate. As pregnancy ST:STUDY_SUMMARY progresses towards labor, major transitions occur in fetomaternal immune, ST:STUDY_SUMMARY metabolic, and endocrine systems that culminate in the delivery of the fetus. ST:STUDY_SUMMARY The comprehensive characterization of metabolic, proteomic and immune cell ST:STUDY_SUMMARY events that precede the spontaneous onset of labor is a key step to ST:STUDY_SUMMARY understanding these physiological transitions and identifying predictive ST:STUDY_SUMMARY biomarkers of parturition. Here, over 7,000 circulating plasma analytes and ST:STUDY_SUMMARY peripheral immune cell responses collected during the last 100 days of pregnancy ST:STUDY_SUMMARY were integrated into a multi-omic model that accurately predicted the time to ST:STUDY_SUMMARY spontaneous onset of labor (R = 0.85, p-value = 1.2e-40, training set; R = 0.81, ST:STUDY_SUMMARY p-value = 3.9e-7, independent test set). Coordinated fluctuations marked a ST:STUDY_SUMMARY molecular shift from pregnancy progression to pre-labor onset biology 2–4 ST:STUDY_SUMMARY weeks before delivery. Our study lays the groundwork for developing blood-based ST:STUDY_SUMMARY methods for predicting the onset of labor, anchored in mechanisms shared in ST:STUDY_SUMMARY preterm, term, and postterm pregnancies. ST:INSTITUTE Stanford University ST:LAST_NAME Contrepois ST:FIRST_NAME Kevin ST:ADDRESS 1291 Welch rd, Biomedical innovations building-Room 4400, STANFORD, California, ST:ADDRESS 94305, USA ST:EMAIL kcontrep@stanford.edu ST:PHONE 6506664538 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 1 001_26_A Timepoint:G1 EGA_sampling=26.4; DOL=-101; RAW_FILE_NAME=pHILIC_001_26_A;nHILIC_001_26_A;pRPLC_001_26_A;nRPLC_001_26_A SUBJECT_SAMPLE_FACTORS 1 001_33_B Timepoint:G2 EGA_sampling=33.6; DOL=-51; RAW_FILE_NAME=pHILIC_001_33_B;nHILIC_001_33_B;pRPLC_001_33_B;nRPLC_001_33_B SUBJECT_SAMPLE_FACTORS 1 001_35_C Timepoint:G3 EGA_sampling=35.6; DOL=-37; RAW_FILE_NAME=pHILIC_001_35_C;nHILIC_001_35_C;pRPLC_001_35_C;nRPLC_001_35_C SUBJECT_SAMPLE_FACTORS 3 003_25_A Timepoint:G1 EGA_sampling=25.3; DOL=-61; RAW_FILE_NAME=pHILIC_003_25_A;nHILIC_003_25_A;pRPLC_003_25_A;nRPLC_003_25_A SUBJECT_SAMPLE_FACTORS 3 003_30_B Timepoint:G2 EGA_sampling=30.7; DOL=-28; RAW_FILE_NAME=pHILIC_003_30_B;nHILIC_003_30_B;pRPLC_003_30_B;nRPLC_003_30_B SUBJECT_SAMPLE_FACTORS 3 003_32_C Timepoint:G3 EGA_sampling=33.6; DOL=-8; RAW_FILE_NAME=pHILIC_003_32_C;nHILIC_003_32_C;pRPLC_003_32_C;nRPLC_003_32_C SUBJECT_SAMPLE_FACTORS 5 005_25_A Timepoint:G1 EGA_sampling=25.3; DOL=-63; RAW_FILE_NAME=pHILIC_005_25_A;nHILIC_005_25_A;pRPLC_005_25_A;nRPLC_005_25_A SUBJECT_SAMPLE_FACTORS 5 005_29_B Timepoint:G2 EGA_sampling=29.3; DOL=-35; RAW_FILE_NAME=pHILIC_005_29_B;nHILIC_005_29_B;pRPLC_005_29_B;nRPLC_005_29_B SUBJECT_SAMPLE_FACTORS 5 005_32_C Timepoint:G3 EGA_sampling=32.3; DOL=-14; RAW_FILE_NAME=pHILIC_005_32_C;nHILIC_005_32_C;pRPLC_005_32_C;nRPLC_005_32_C SUBJECT_SAMPLE_FACTORS 6 006_25_A Timepoint:G1 EGA_sampling=25; DOL=-99; RAW_FILE_NAME=pHILIC_006_25_A;nHILIC_006_25_A;pRPLC_006_25_A;nRPLC_006_25_A SUBJECT_SAMPLE_FACTORS 6 006_30_B Timepoint:G2 EGA_sampling=30.6; DOL=-60; RAW_FILE_NAME=pHILIC_006_30_B;nHILIC_006_30_B;pRPLC_006_30_B;nRPLC_006_30_B SUBJECT_SAMPLE_FACTORS 6 006_34_C Timepoint:G3 EGA_sampling=34.6; DOL=-32; RAW_FILE_NAME=pHILIC_006_34_C;nHILIC_006_34_C;pRPLC_006_34_C;nRPLC_006_34_C SUBJECT_SAMPLE_FACTORS 7 007_28_A Timepoint:G1 EGA_sampling=28.3; DOL=-73; RAW_FILE_NAME=pHILIC_007_28_A;nHILIC_007_28_A;pRPLC_007_28_A;nRPLC_007_28_A SUBJECT_SAMPLE_FACTORS 7 007_36_B Timepoint:G2 EGA_sampling=36.1; DOL=-18; RAW_FILE_NAME=pHILIC_007_36_B;nHILIC_007_36_B;pRPLC_007_36_B;nRPLC_007_36_B SUBJECT_SAMPLE_FACTORS 8 008_28_A Timepoint:G1 EGA_sampling=28.1; DOL=-48; RAW_FILE_NAME=pHILIC_008_28_A;nHILIC_008_28_A;pRPLC_008_28_A;nRPLC_008_28_A SUBJECT_SAMPLE_FACTORS 8 008_32_B Timepoint:G2 EGA_sampling=32.1; DOL=-20; RAW_FILE_NAME=pHILIC_008_32_B;nHILIC_008_32_B;pRPLC_008_32_B;nRPLC_008_32_B SUBJECT_SAMPLE_FACTORS 8 008_33_C Timepoint:G3 EGA_sampling=33.1; DOL=-9; RAW_FILE_NAME=pHILIC_008_33_C;nHILIC_008_33_C;pRPLC_008_33_C;nRPLC_008_33_C SUBJECT_SAMPLE_FACTORS 12 012_25_A Timepoint:G1 EGA_sampling=25.4; DOL=-98; RAW_FILE_NAME=pHILIC_012_25_A;nHILIC_012_25_A;pRPLC_012_25_A;nRPLC_012_25_A SUBJECT_SAMPLE_FACTORS 12 012_29_B Timepoint:G2 EGA_sampling=29.4; DOL=-70; RAW_FILE_NAME=pHILIC_012_29_B;nHILIC_012_29_B;pRPLC_012_29_B;nRPLC_012_29_B SUBJECT_SAMPLE_FACTORS 12 012_34_C Timepoint:G3 EGA_sampling=34.3; DOL=-36; RAW_FILE_NAME=pHILIC_012_34_C;nHILIC_012_34_C;pRPLC_012_34_C;nRPLC_012_34_C SUBJECT_SAMPLE_FACTORS 14 014_27_A Timepoint:G1 EGA_sampling=26.7; DOL=-94; RAW_FILE_NAME=pHILIC_014_27_A;nHILIC_014_27_A;pRPLC_014_27_A;nRPLC_014_27_A SUBJECT_SAMPLE_FACTORS 14 014_30_B Timepoint:G2 EGA_sampling=30.9; DOL=-65; RAW_FILE_NAME=pHILIC_014_30_B;nHILIC_014_30_B;pRPLC_014_30_B;nRPLC_014_30_B SUBJECT_SAMPLE_FACTORS 14 014_35_C Timepoint:G3 EGA_sampling=35.3; DOL=-34; RAW_FILE_NAME=pHILIC_014_35_C;nHILIC_014_35_C;pRPLC_014_35_C;nRPLC_014_35_C SUBJECT_SAMPLE_FACTORS 16 016_32_A Timepoint:G1 EGA_sampling=32.9; DOL=-51; RAW_FILE_NAME=pHILIC_016_32_A;nHILIC_016_32_A;pRPLC_016_32_A;nRPLC_016_32_A SUBJECT_SAMPLE_FACTORS 16 016_34_B Timepoint:G2 EGA_sampling=34.4; DOL=-37; RAW_FILE_NAME=pHILIC_016_34_B;nHILIC_016_34_B;pRPLC_016_34_B;nRPLC_016_34_B SUBJECT_SAMPLE_FACTORS 16 016_37_C Timepoint:G3 EGA_sampling=36.7; DOL=-19; RAW_FILE_NAME=pHILIC_016_37_C;nHILIC_016_37_C;pRPLC_016_37_C;nRPLC_016_37_C SUBJECT_SAMPLE_FACTORS 17 017_31_A Timepoint:G1 EGA_sampling=31.7; DOL=-16; RAW_FILE_NAME=pHILIC_017_31_A;nHILIC_017_31_A;pRPLC_017_31_A;nRPLC_017_31_A SUBJECT_SAMPLE_FACTORS 17 017_33_B Timepoint:G2 EGA_sampling=33.6; DOL=-3; RAW_FILE_NAME=pHILIC_017_33_B;nHILIC_017_33_B;pRPLC_017_33_B;nRPLC_017_33_B SUBJECT_SAMPLE_FACTORS 18 018_27_A Timepoint:G1 EGA_sampling=27.7; DOL=-82; RAW_FILE_NAME=pHILIC_018_27_A;nHILIC_018_27_A;pRPLC_018_27_A;nRPLC_018_27_A SUBJECT_SAMPLE_FACTORS 18 018_31_B Timepoint:G2 EGA_sampling=31.7; DOL=-54; RAW_FILE_NAME=pHILIC_018_31_B;nHILIC_018_31_B;pRPLC_018_31_B;nRPLC_018_31_B SUBJECT_SAMPLE_FACTORS 18 018_35_C Timepoint:G3 EGA_sampling=35.7; DOL=-26; RAW_FILE_NAME=pHILIC_018_35_C;nHILIC_018_35_C;pRPLC_018_35_C;nRPLC_018_35_C SUBJECT_SAMPLE_FACTORS 19 019_27_A Timepoint:G1 EGA_sampling=27.9; DOL=-89; RAW_FILE_NAME=pHILIC_019_27_A;nHILIC_019_27_A;pRPLC_019_27_A;nRPLC_019_27_A SUBJECT_SAMPLE_FACTORS 19 019_31_B Timepoint:G2 EGA_sampling=31.9; DOL=-61; RAW_FILE_NAME=pHILIC_019_31_B;nHILIC_019_31_B;pRPLC_019_31_B;nRPLC_019_31_B SUBJECT_SAMPLE_FACTORS 19 019_36_C Timepoint:G3 EGA_sampling=36.4; DOL=-29; RAW_FILE_NAME=pHILIC_019_36_C;nHILIC_019_36_C;pRPLC_019_36_C;nRPLC_019_36_C SUBJECT_SAMPLE_FACTORS 21 021_27_A Timepoint:G1 EGA_sampling=27.4; DOL=-86; RAW_FILE_NAME=pHILIC_021_27_A;nHILIC_021_27_A;pRPLC_021_27_A;nRPLC_021_27_A SUBJECT_SAMPLE_FACTORS 21 021_34_B Timepoint:G2 EGA_sampling=34.3; DOL=-38; RAW_FILE_NAME=pHILIC_021_34_B;nHILIC_021_34_B;pRPLC_021_34_B;nRPLC_021_34_B SUBJECT_SAMPLE_FACTORS 21 021_36_C Timepoint:G3 EGA_sampling=36.4; DOL=-23; RAW_FILE_NAME=pHILIC_021_36_C;nHILIC_021_36_C;pRPLC_021_36_C;nRPLC_021_36_C SUBJECT_SAMPLE_FACTORS 22 022_26_A Timepoint:G1 EGA_sampling=26.3; DOL=-95; RAW_FILE_NAME=pHILIC_022_26_A;nHILIC_022_26_A;pRPLC_022_26_A;nRPLC_022_26_A SUBJECT_SAMPLE_FACTORS 22 022_31_B Timepoint:G2 EGA_sampling=31.3; DOL=-60; RAW_FILE_NAME=pHILIC_022_31_B;nHILIC_022_31_B;pRPLC_022_31_B;nRPLC_022_31_B SUBJECT_SAMPLE_FACTORS 22 022_34_C Timepoint:G3 EGA_sampling=34.9; DOL=-35; RAW_FILE_NAME=pHILIC_022_34_C;nHILIC_022_34_C;pRPLC_022_34_C;nRPLC_022_34_C SUBJECT_SAMPLE_FACTORS 24 024_27_A Timepoint:G1 EGA_sampling=27.1; DOL=-71; RAW_FILE_NAME=pHILIC_024_27_A;nHILIC_024_27_A;pRPLC_024_27_A;nRPLC_024_27_A SUBJECT_SAMPLE_FACTORS 24 024_29_B Timepoint:G2 EGA_sampling=29.1; DOL=-57; RAW_FILE_NAME=pHILIC_024_29_B;nHILIC_024_29_B;pRPLC_024_29_B;nRPLC_024_29_B SUBJECT_SAMPLE_FACTORS 24 024_34_C Timepoint:G3 EGA_sampling=34.1; DOL=-23; RAW_FILE_NAME=pHILIC_024_34_C;nHILIC_024_34_C;pRPLC_024_34_C;nRPLC_024_34_C SUBJECT_SAMPLE_FACTORS 25 025_26_A Timepoint:G1 EGA_sampling=26.9; DOL=-85; RAW_FILE_NAME=pHILIC_025_26_A;nHILIC_025_26_A;pRPLC_025_26_A;nRPLC_025_26_A SUBJECT_SAMPLE_FACTORS 25 025_30_B Timepoint:G2 EGA_sampling=30.9; DOL=-57; RAW_FILE_NAME=pHILIC_025_30_B;nHILIC_025_30_B;pRPLC_025_30_B;nRPLC_025_30_B SUBJECT_SAMPLE_FACTORS 25 025_32_C Timepoint:G3 EGA_sampling=33; DOL=-43; RAW_FILE_NAME=pHILIC_025_32_C;nHILIC_025_32_C;pRPLC_025_32_C;nRPLC_025_32_C SUBJECT_SAMPLE_FACTORS 26 026_31_A Timepoint:G1 EGA_sampling=31.4; DOL=-66; RAW_FILE_NAME=pHILIC_026_31_A;nHILIC_026_31_A;pRPLC_026_31_A;nRPLC_026_31_A SUBJECT_SAMPLE_FACTORS 26 026_34_B Timepoint:G2 EGA_sampling=34.3; DOL=-46; RAW_FILE_NAME=pHILIC_026_34_B;nHILIC_026_34_B;pRPLC_026_34_B;nRPLC_026_34_B SUBJECT_SAMPLE_FACTORS 26 026_37_C Timepoint:G3 EGA_sampling=37.4; DOL=-24; RAW_FILE_NAME=pHILIC_026_37_C;nHILIC_026_37_C;pRPLC_026_37_C;nRPLC_026_37_C SUBJECT_SAMPLE_FACTORS 27 027_24_A Timepoint:G1 EGA_sampling=24.4; DOL=-75; RAW_FILE_NAME=pHILIC_027_24_A;nHILIC_027_24_A;pRPLC_027_24_A;nRPLC_027_24_A SUBJECT_SAMPLE_FACTORS 27 027_28_B Timepoint:G2 EGA_sampling=28.3; DOL=-48; RAW_FILE_NAME=pHILIC_027_28_B;nHILIC_027_28_B;pRPLC_027_28_B;nRPLC_027_28_B SUBJECT_SAMPLE_FACTORS 27 027_32_C Timepoint:G3 EGA_sampling=32.1; DOL=-21; RAW_FILE_NAME=pHILIC_027_32_C;nHILIC_027_32_C;pRPLC_027_32_C;nRPLC_027_32_C SUBJECT_SAMPLE_FACTORS 28 028_31_A Timepoint:G1 EGA_sampling=31.4; DOL=-53; RAW_FILE_NAME=pHILIC_028_31_A;nHILIC_028_31_A;pRPLC_028_31_A;nRPLC_028_31_A SUBJECT_SAMPLE_FACTORS 28 028_34_B Timepoint:G2 EGA_sampling=34.1; DOL=-34; RAW_FILE_NAME=pHILIC_028_34_B;nHILIC_028_34_B;pRPLC_028_34_B;nRPLC_028_34_B SUBJECT_SAMPLE_FACTORS 28 028_36_C Timepoint:G3 EGA_sampling=36.1; DOL=-20; RAW_FILE_NAME=pHILIC_028_36_C;nHILIC_028_36_C;pRPLC_028_36_C;nRPLC_028_36_C SUBJECT_SAMPLE_FACTORS 32 032_24_A Timepoint:G1 EGA_sampling=24.9; DOL=-102; RAW_FILE_NAME=pHILIC_032_24_A;nHILIC_032_24_A;pRPLC_032_24_A;nRPLC_032_24_A SUBJECT_SAMPLE_FACTORS 32 032_27_B Timepoint:G2 EGA_sampling=27.9; DOL=-81; RAW_FILE_NAME=pHILIC_032_27_B;nHILIC_032_27_B;pRPLC_032_27_B;nRPLC_032_27_B SUBJECT_SAMPLE_FACTORS 32 032_37_C Timepoint:G3 EGA_sampling=37.3; DOL=-15; RAW_FILE_NAME=pHILIC_032_37_C;nHILIC_032_37_C;pRPLC_032_37_C;nRPLC_032_37_C SUBJECT_SAMPLE_FACTORS 33 033_31_A Timepoint:G1 EGA_sampling=31.7; DOL=-37; RAW_FILE_NAME=pHILIC_033_31_A;nHILIC_033_31_A;pRPLC_033_31_A;nRPLC_033_31_A SUBJECT_SAMPLE_FACTORS 33 033_33_B Timepoint:G2 EGA_sampling=33.7; DOL=-23; RAW_FILE_NAME=pHILIC_033_33_B;nHILIC_033_33_B;pRPLC_033_33_B;nRPLC_033_33_B SUBJECT_SAMPLE_FACTORS 33 033_36_C Timepoint:G3 EGA_sampling=36.7; DOL=-2; RAW_FILE_NAME=pHILIC_033_36_C;nHILIC_033_36_C;pRPLC_033_36_C;nRPLC_033_36_C SUBJECT_SAMPLE_FACTORS 34 034_26_A Timepoint:G1 EGA_sampling=26.9; DOL=-90; RAW_FILE_NAME=pHILIC_034_26_A;nHILIC_034_26_A;pRPLC_034_26_A;nRPLC_034_26_A SUBJECT_SAMPLE_FACTORS 34 034_35_B Timepoint:G2 EGA_sampling=35.4; DOL=-30; RAW_FILE_NAME=pHILIC_034_35_B;nHILIC_034_35_B;pRPLC_034_35_B;nRPLC_034_35_B SUBJECT_SAMPLE_FACTORS 34 034_36_C Timepoint:G3 EGA_sampling=37.3; DOL=-17; RAW_FILE_NAME=pHILIC_034_36_C;nHILIC_034_36_C;pRPLC_034_36_C;nRPLC_034_36_C SUBJECT_SAMPLE_FACTORS 35 035_27_A Timepoint:G1 EGA_sampling=27.6; DOL=-78; RAW_FILE_NAME=pHILIC_035_27_A;nHILIC_035_27_A;pRPLC_035_27_A;nRPLC_035_27_A SUBJECT_SAMPLE_FACTORS 35 035_31_B Timepoint:G2 EGA_sampling=31.6; DOL=-50; RAW_FILE_NAME=pHILIC_035_31_B;nHILIC_035_31_B;pRPLC_035_31_B;nRPLC_035_31_B SUBJECT_SAMPLE_FACTORS 35 035_37_C Timepoint:G3 EGA_sampling=37.7; DOL=-7; RAW_FILE_NAME=pHILIC_035_37_C;nHILIC_035_37_C;pRPLC_035_37_C;nRPLC_035_37_C SUBJECT_SAMPLE_FACTORS 36 036_28_A Timepoint:G1 EGA_sampling=28.1; DOL=-86; RAW_FILE_NAME=pHILIC_036_28_A;nHILIC_036_28_A;pRPLC_036_28_A;nRPLC_036_28_A SUBJECT_SAMPLE_FACTORS 36 036_30_B Timepoint:G2 EGA_sampling=30.7; DOL=-68; RAW_FILE_NAME=pHILIC_036_30_B;nHILIC_036_30_B;pRPLC_036_30_B;nRPLC_036_30_B SUBJECT_SAMPLE_FACTORS 36 036_37_C Timepoint:G3 EGA_sampling=37; DOL=-24; RAW_FILE_NAME=pHILIC_036_37_C;nHILIC_036_37_C;pRPLC_036_37_C;nRPLC_036_37_C SUBJECT_SAMPLE_FACTORS 40 040_25_A Timepoint:G1 EGA_sampling=25.6; DOL=-90; RAW_FILE_NAME=pHILIC_040_25_A;nHILIC_040_25_A;pRPLC_040_25_A;nRPLC_040_25_A SUBJECT_SAMPLE_FACTORS 40 040_29_B Timepoint:G2 EGA_sampling=29.9; DOL=-69; RAW_FILE_NAME=pHILIC_040_29_B;nHILIC_040_29_B;pRPLC_040_29_B;nRPLC_040_29_B SUBJECT_SAMPLE_FACTORS 40 040_36_C Timepoint:G3 EGA_sampling=36.1; DOL=-25; RAW_FILE_NAME=pHILIC_040_36_C;nHILIC_040_36_C;pRPLC_040_36_C;nRPLC_040_36_C SUBJECT_SAMPLE_FACTORS 41 041_25_A Timepoint:G1 EGA_sampling=25.6; DOL=-96; RAW_FILE_NAME=pHILIC_041_25_A;nHILIC_041_25_A;pRPLC_041_25_A;nRPLC_041_25_A SUBJECT_SAMPLE_FACTORS 41 041_30_B Timepoint:G2 EGA_sampling=30.1; DOL=-64; RAW_FILE_NAME=pHILIC_041_30_B;nHILIC_041_30_B;pRPLC_041_30_B;nRPLC_041_30_B SUBJECT_SAMPLE_FACTORS 41 041_37_C Timepoint:G3 EGA_sampling=37.6; DOL=-12; RAW_FILE_NAME=pHILIC_041_37_C;nHILIC_041_37_C;pRPLC_041_37_C;nRPLC_041_37_C SUBJECT_SAMPLE_FACTORS 42 042_24_A Timepoint:G1 EGA_sampling=24.1; DOL=-106; RAW_FILE_NAME=pHILIC_042_24_A;nHILIC_042_24_A;pRPLC_042_24_A;nRPLC_042_24_A SUBJECT_SAMPLE_FACTORS 42 042_27_B Timepoint:G2 EGA_sampling=27.4; DOL=-83; RAW_FILE_NAME=pHILIC_042_27_B;nHILIC_042_27_B;pRPLC_042_27_B;nRPLC_042_27_B SUBJECT_SAMPLE_FACTORS 42 042_37_C Timepoint:G3 EGA_sampling=37; DOL=-16; RAW_FILE_NAME=pHILIC_042_37_C;nHILIC_042_37_C;pRPLC_042_37_C;nRPLC_042_37_C SUBJECT_SAMPLE_FACTORS 43 043_27_A Timepoint:G1 EGA_sampling=27.7; DOL=-91; RAW_FILE_NAME=pHILIC_043_27_A;nHILIC_043_27_A;pRPLC_043_27_A;nRPLC_043_27_A SUBJECT_SAMPLE_FACTORS 43 043_38_B Timepoint:G2 EGA_sampling=38.1; DOL=-18; RAW_FILE_NAME=pHILIC_043_38_B;nHILIC_043_38_B;pRPLC_043_38_B;nRPLC_043_38_B SUBJECT_SAMPLE_FACTORS 43 043_39_C Timepoint:G3 EGA_sampling=39.1; DOL=-11; RAW_FILE_NAME=pHILIC_043_39_C;nHILIC_043_39_C;pRPLC_043_39_C;nRPLC_043_39_C SUBJECT_SAMPLE_FACTORS 44 044_30_A Timepoint:G1 EGA_sampling=30; DOL=-68; RAW_FILE_NAME=pHILIC_044_30_A;nHILIC_044_30_A;pRPLC_044_30_A;nRPLC_044_30_A SUBJECT_SAMPLE_FACTORS 44 044_36_B Timepoint:G2 EGA_sampling=36.3; DOL=-24; RAW_FILE_NAME=pHILIC_044_36_B;nHILIC_044_36_B;pRPLC_044_36_B;nRPLC_044_36_B SUBJECT_SAMPLE_FACTORS 44 044_38_C Timepoint:G3 EGA_sampling=38.3; DOL=-10; RAW_FILE_NAME=pHILIC_044_38_C;nHILIC_044_38_C;pRPLC_044_38_C;nRPLC_044_38_C SUBJECT_SAMPLE_FACTORS 45 045_27_A Timepoint:G1 EGA_sampling=27.4; DOL=-81; RAW_FILE_NAME=pHILIC_045_27_A;nHILIC_045_27_A;pRPLC_045_27_A;nRPLC_045_27_A SUBJECT_SAMPLE_FACTORS 45 045_33_B Timepoint:G2 EGA_sampling=33.1; DOL=-41; RAW_FILE_NAME=pHILIC_045_33_B;nHILIC_045_33_B;pRPLC_045_33_B;nRPLC_045_33_B SUBJECT_SAMPLE_FACTORS 45 045_37_C Timepoint:G3 EGA_sampling=37.1; DOL=-13; RAW_FILE_NAME=pHILIC_045_37_C;nHILIC_045_37_C;pRPLC_045_37_C;nRPLC_045_37_C SUBJECT_SAMPLE_FACTORS 50 050_32_A Timepoint:G1 EGA_sampling=32; DOL=-46; RAW_FILE_NAME=pHILIC_050_32_A;nHILIC_050_32_A;pRPLC_050_32_A;nRPLC_050_32_A SUBJECT_SAMPLE_FACTORS 50 050_36_B Timepoint:G2 EGA_sampling=36.1; DOL=-17; RAW_FILE_NAME=pHILIC_050_36_B;nHILIC_050_36_B;pRPLC_050_36_B;nRPLC_050_36_B SUBJECT_SAMPLE_FACTORS 50 050_38_C Timepoint:G3 EGA_sampling=38; DOL=-4; RAW_FILE_NAME=pHILIC_050_38_C;nHILIC_050_38_C;pRPLC_050_38_C;nRPLC_050_38_C SUBJECT_SAMPLE_FACTORS 51 051_27_A Timepoint:G1 EGA_sampling=27.7; DOL=-94; RAW_FILE_NAME=pHILIC_051_27_A;nHILIC_051_27_A;pRPLC_051_27_A;nRPLC_051_27_A SUBJECT_SAMPLE_FACTORS 51 051_38_B Timepoint:G2 EGA_sampling=38.6; DOL=-18; RAW_FILE_NAME=pHILIC_051_38_B;nHILIC_051_38_B;pRPLC_051_38_B;nRPLC_051_38_B SUBJECT_SAMPLE_FACTORS 51 051_39_C Timepoint:G3 EGA_sampling=39.6; DOL=-11; RAW_FILE_NAME=pHILIC_051_39_C;nHILIC_051_39_C;pRPLC_051_39_C;nRPLC_051_39_C SUBJECT_SAMPLE_FACTORS 52 052_24_A Timepoint:G1 EGA_sampling=24.4; DOL=-108; RAW_FILE_NAME=pHILIC_052_24_A;nHILIC_052_24_A;pRPLC_052_24_A;nRPLC_052_24_A SUBJECT_SAMPLE_FACTORS 52 052_36_B Timepoint:G2 EGA_sampling=36.3; DOL=-25; RAW_FILE_NAME=pHILIC_052_36_B;nHILIC_052_36_B;pRPLC_052_36_B;nRPLC_052_36_B SUBJECT_SAMPLE_FACTORS 52 052_38_C Timepoint:G3 EGA_sampling=38.4; DOL=-10; RAW_FILE_NAME=pHILIC_052_38_C;nHILIC_052_38_C;pRPLC_052_38_C;nRPLC_052_38_C SUBJECT_SAMPLE_FACTORS 54 054_32_A Timepoint:G1 EGA_sampling=32.3; DOL=-44; RAW_FILE_NAME=pHILIC_054_32_A;nHILIC_054_32_A;pRPLC_054_32_A;nRPLC_054_32_A SUBJECT_SAMPLE_FACTORS 55 055_27_A Timepoint:G1 EGA_sampling=27; DOL=-87; RAW_FILE_NAME=pHILIC_055_27_A;nHILIC_055_27_A;pRPLC_055_27_A;nRPLC_055_27_A SUBJECT_SAMPLE_FACTORS 55 055_35_B Timepoint:G2 EGA_sampling=35; DOL=-31; RAW_FILE_NAME=pHILIC_055_35_B;nHILIC_055_35_B;pRPLC_055_35_B;nRPLC_055_35_B SUBJECT_SAMPLE_FACTORS 55 055_38_C Timepoint:G3 EGA_sampling=38; DOL=-10; RAW_FILE_NAME=pHILIC_055_38_C;nHILIC_055_38_C;pRPLC_055_38_C;nRPLC_055_38_C SUBJECT_SAMPLE_FACTORS 56 056_25_A Timepoint:G1 EGA_sampling=25.9; DOL=-90; RAW_FILE_NAME=pHILIC_056_25_A;nHILIC_056_25_A;pRPLC_056_25_A;nRPLC_056_25_A SUBJECT_SAMPLE_FACTORS 56 056_37_B Timepoint:G2 EGA_sampling=37.1; DOL=-11; RAW_FILE_NAME=pHILIC_056_37_B;nHILIC_056_37_B;pRPLC_056_37_B;nRPLC_056_37_B SUBJECT_SAMPLE_FACTORS 56 056_38_C Timepoint:G3 EGA_sampling=38; DOL=-5; RAW_FILE_NAME=pHILIC_056_38_C;nHILIC_056_38_C;pRPLC_056_38_C;nRPLC_056_38_C SUBJECT_SAMPLE_FACTORS 57 057_27_A Timepoint:G1 EGA_sampling=27.1; DOL=-84; RAW_FILE_NAME=pHILIC_057_27_A;nHILIC_057_27_A;pRPLC_057_27_A;nRPLC_057_27_A SUBJECT_SAMPLE_FACTORS 57 057_36_B Timepoint:G2 EGA_sampling=36.6; DOL=-16; RAW_FILE_NAME=pHILIC_057_36_B;nHILIC_057_36_B;pRPLC_057_36_B;nRPLC_057_36_B SUBJECT_SAMPLE_FACTORS 57 057_38_C Timepoint:G3 EGA_sampling=38.9; DOL=-2; RAW_FILE_NAME=pHILIC_057_38_C;nHILIC_057_38_C;pRPLC_057_38_C;nRPLC_057_38_C SUBJECT_SAMPLE_FACTORS 63 063_30_A Timepoint:G1 EGA_sampling=30.6; DOL=-69; RAW_FILE_NAME=pHILIC_063_30_A;nHILIC_063_30_A;pRPLC_063_30_A;nRPLC_063_30_A SUBJECT_SAMPLE_FACTORS 63 063_38_B Timepoint:G2 EGA_sampling=38.3; DOL=-15; RAW_FILE_NAME=pHILIC_063_38_B;nHILIC_063_38_B;pRPLC_063_38_B;nRPLC_063_38_B SUBJECT_SAMPLE_FACTORS 63 063_40_C Timepoint:G3 EGA_sampling=40.3; DOL=-1; RAW_FILE_NAME=pHILIC_063_40_C;nHILIC_063_40_C;pRPLC_063_40_C;nRPLC_063_40_C SUBJECT_SAMPLE_FACTORS 65 065_27_A Timepoint:G1 EGA_sampling=27.7; DOL=-79; RAW_FILE_NAME=pHILIC_065_27_A;nHILIC_065_27_A;pRPLC_065_27_A;nRPLC_065_27_A SUBJECT_SAMPLE_FACTORS 65 065_38_B Timepoint:G2 EGA_sampling=38.3; DOL=-5; RAW_FILE_NAME=pHILIC_065_38_B;nHILIC_065_38_B;pRPLC_065_38_B;nRPLC_065_38_B SUBJECT_SAMPLE_FACTORS 67 067_30_A Timepoint:G1 EGA_sampling=30.6; DOL=-52; RAW_FILE_NAME=pHILIC_067_30_A;nHILIC_067_30_A;pRPLC_067_30_A;nRPLC_067_30_A SUBJECT_SAMPLE_FACTORS 67 067_37_B Timepoint:G2 EGA_sampling=37; DOL=-7; RAW_FILE_NAME=pHILIC_067_37_B;nHILIC_067_37_B;pRPLC_067_37_B;nRPLC_067_37_B SUBJECT_SAMPLE_FACTORS 68 068_27_A Timepoint:G1 EGA_sampling=27.3; DOL=-89; RAW_FILE_NAME=pHILIC_068_27_A;nHILIC_068_27_A;pRPLC_068_27_A;nRPLC_068_27_A SUBJECT_SAMPLE_FACTORS 68 068_37_B Timepoint:G2 EGA_sampling=37.1; DOL=-20; RAW_FILE_NAME=pHILIC_068_37_B;nHILIC_068_37_B;pRPLC_068_37_B;nRPLC_068_37_B SUBJECT_SAMPLE_FACTORS 68 068_39_C Timepoint:G3 EGA_sampling=39.1; DOL=-6; RAW_FILE_NAME=pHILIC_068_39_C;nHILIC_068_39_C;pRPLC_068_39_C;nRPLC_068_39_C SUBJECT_SAMPLE_FACTORS 72 072_24_A Timepoint:G1 EGA_sampling=24.9; DOL=-113; RAW_FILE_NAME=pHILIC_072_24_A;nHILIC_072_24_A;pRPLC_072_24_A;nRPLC_072_24_A SUBJECT_SAMPLE_FACTORS 72 072_36_B Timepoint:G2 EGA_sampling=37.4; DOL=-25; RAW_FILE_NAME=pHILIC_072_36_B;nHILIC_072_36_B;pRPLC_072_36_B;nRPLC_072_36_B SUBJECT_SAMPLE_FACTORS 72 072_38_C Timepoint:G3 EGA_sampling=39.4; DOL=-11; RAW_FILE_NAME=pHILIC_072_38_C;nHILIC_072_38_C;pRPLC_072_38_C;nRPLC_072_38_C SUBJECT_SAMPLE_FACTORS 73 073_27_A Timepoint:G1 EGA_sampling=27.4; DOL=-79; RAW_FILE_NAME=pHILIC_073_27_A;nHILIC_073_27_A;pRPLC_073_27_A;nRPLC_073_27_A SUBJECT_SAMPLE_FACTORS 74 074_30_A Timepoint:G1 EGA_sampling=30.6; DOL=-58; RAW_FILE_NAME=pHILIC_074_30_A;nHILIC_074_30_A;pRPLC_074_30_A;nRPLC_074_30_A SUBJECT_SAMPLE_FACTORS 74 074_37_B Timepoint:G2 EGA_sampling=37.6; DOL=-9; RAW_FILE_NAME=pHILIC_074_37_B;nHILIC_074_37_B;pRPLC_074_37_B;nRPLC_074_37_B SUBJECT_SAMPLE_FACTORS 74 074_38_C Timepoint:G3 EGA_sampling=38.6; DOL=-2; RAW_FILE_NAME=pHILIC_074_38_C;nHILIC_074_38_C;pRPLC_074_38_C;nRPLC_074_38_C SUBJECT_SAMPLE_FACTORS 75 075_31_A Timepoint:G1 EGA_sampling=31.9; DOL=-53; RAW_FILE_NAME=pHILIC_075_31_A;nHILIC_075_31_A;pRPLC_075_31_A;nRPLC_075_31_A SUBJECT_SAMPLE_FACTORS 75 075_36_B Timepoint:G2 EGA_sampling=36.9; DOL=-18; RAW_FILE_NAME=pHILIC_075_36_B;nHILIC_075_36_B;pRPLC_075_36_B;nRPLC_075_36_B SUBJECT_SAMPLE_FACTORS 75 075_38_C Timepoint:G3 EGA_sampling=38.4; DOL=-7; RAW_FILE_NAME=pHILIC_075_38_C;nHILIC_075_38_C;pRPLC_075_38_C;nRPLC_075_38_C SUBJECT_SAMPLE_FACTORS 83 083_28_A Timepoint:G1 EGA_sampling=28.1; DOL=-78; RAW_FILE_NAME=pHILIC_083_28_A;nHILIC_083_28_A;pRPLC_083_28_A;nRPLC_083_28_A SUBJECT_SAMPLE_FACTORS 83 083_36_B Timepoint:G2 EGA_sampling=36.9; DOL=-17; RAW_FILE_NAME=pHILIC_083_36_B;nHILIC_083_36_B;pRPLC_083_36_B;nRPLC_083_36_B SUBJECT_SAMPLE_FACTORS 83 083_38_C Timepoint:G3 EGA_sampling=38.3; DOL=-7; RAW_FILE_NAME=pHILIC_083_38_C;nHILIC_083_38_C;pRPLC_083_38_C;nRPLC_083_38_C SUBJECT_SAMPLE_FACTORS 86 086_30_A Timepoint:G1 EGA_sampling=30; DOL=-71; RAW_FILE_NAME=pHILIC_086_30_A;nHILIC_086_30_A;pRPLC_086_30_A;nRPLC_086_30_A SUBJECT_SAMPLE_FACTORS 86 086_36_B Timepoint:G2 EGA_sampling=36.6; DOL=-25; RAW_FILE_NAME=pHILIC_086_36_B;nHILIC_086_36_B;pRPLC_086_36_B;nRPLC_086_36_B SUBJECT_SAMPLE_FACTORS 87 087_30_A Timepoint:G1 EGA_sampling=30.1; DOL=-60; RAW_FILE_NAME=pHILIC_087_30_A;nHILIC_087_30_A;pRPLC_087_30_A;nRPLC_087_30_A SUBJECT_SAMPLE_FACTORS 87 087_36_B Timepoint:G2 EGA_sampling=37.1; DOL=-11; RAW_FILE_NAME=pHILIC_087_36_B;nHILIC_087_36_B;pRPLC_087_36_B;nRPLC_087_36_B SUBJECT_SAMPLE_FACTORS 87 087_37_C Timepoint:G3 EGA_sampling=38.1; DOL=-4; RAW_FILE_NAME=pHILIC_087_37_C;nHILIC_087_37_C;pRPLC_087_37_C;nRPLC_087_37_C SUBJECT_SAMPLE_FACTORS 91 091_30_A Timepoint:G1 EGA_sampling=30.1; DOL=-64; RAW_FILE_NAME=pHILIC_091_30_A;nHILIC_091_30_A;pRPLC_091_30_A;nRPLC_091_30_A SUBJECT_SAMPLE_FACTORS 91 091_37_B Timepoint:G2 EGA_sampling=37.3; DOL=-11; RAW_FILE_NAME=pHILIC_091_37_B;nHILIC_091_37_B;pRPLC_091_37_B;nRPLC_091_37_B SUBJECT_SAMPLE_FACTORS 91 091_38_C Timepoint:G3 EGA_sampling=38.3; DOL=-4; RAW_FILE_NAME=pHILIC_091_38_C;nHILIC_091_38_C;pRPLC_091_38_C;nRPLC_091_38_C SUBJECT_SAMPLE_FACTORS 93 093_27_A Timepoint:G1 EGA_sampling=27.7; DOL=-82; RAW_FILE_NAME=pHILIC_093_27_A;nHILIC_093_27_A;pRPLC_093_27_A;nRPLC_093_27_A SUBJECT_SAMPLE_FACTORS 93 093_38_B Timepoint:G2 EGA_sampling=38.3; DOL=-8; RAW_FILE_NAME=pHILIC_093_38_B;nHILIC_093_38_B;pRPLC_093_38_B;nRPLC_093_38_B SUBJECT_SAMPLE_FACTORS 93 093_39_C Timepoint:G3 EGA_sampling=39.3; DOL=-1; RAW_FILE_NAME=pHILIC_093_39_C;nHILIC_093_39_C;pRPLC_093_39_C;nRPLC_093_39_C SUBJECT_SAMPLE_FACTORS 98 098_26_A Timepoint:G1 EGA_sampling=26.7; DOL=-93; RAW_FILE_NAME=pHILIC_098_26_A;nHILIC_098_26_A;pRPLC_098_26_A;nRPLC_098_26_A SUBJECT_SAMPLE_FACTORS 98 098_36_B Timepoint:G2 EGA_sampling=36.6; DOL=-24; RAW_FILE_NAME=pHILIC_098_36_B;nHILIC_098_36_B;pRPLC_098_36_B;nRPLC_098_36_B SUBJECT_SAMPLE_FACTORS 98 098_38_C Timepoint:G3 EGA_sampling=38.7; DOL=-9; RAW_FILE_NAME=pHILIC_098_38_C;nHILIC_098_38_C;pRPLC_098_38_C;nRPLC_098_38_C SUBJECT_SAMPLE_FACTORS 99 099_24_A Timepoint:G1 EGA_sampling=24.6; DOL=-106; RAW_FILE_NAME=pHILIC_099_24_A;nHILIC_099_24_A;pRPLC_099_24_A;nRPLC_099_24_A SUBJECT_SAMPLE_FACTORS 99 099_38_B Timepoint:G2 EGA_sampling=38.7; DOL=-7; RAW_FILE_NAME=pHILIC_099_38_B;nHILIC_099_38_B;pRPLC_099_38_B;nRPLC_099_38_B SUBJECT_SAMPLE_FACTORS 99 099_39_C Timepoint:G3 EGA_sampling=39.7; DOL=-; RAW_FILE_NAME=pHILIC_099_39_C;nHILIC_099_39_C;pRPLC_099_39_C;nRPLC_099_39_C SUBJECT_SAMPLE_FACTORS 100 100_29_A Timepoint:G1 EGA_sampling=29.4; DOL=-71; RAW_FILE_NAME=pHILIC_100_29_A;nHILIC_100_29_A;pRPLC_100_29_A;nRPLC_100_29_A SUBJECT_SAMPLE_FACTORS 100 100_37_B Timepoint:G2 EGA_sampling=37.4; DOL=-15; RAW_FILE_NAME=pHILIC_100_37_B;nHILIC_100_37_B;pRPLC_100_37_B;nRPLC_100_37_B SUBJECT_SAMPLE_FACTORS 100 100_39_C Timepoint:G3 EGA_sampling=39.4; DOL=-1; RAW_FILE_NAME=pHILIC_100_39_C;nHILIC_100_39_C;pRPLC_100_39_C;nRPLC_100_39_C #COLLECTION CO:COLLECTION_SUMMARY Healthy pregnant women receiving routine antepartum care were eligible for the CO:COLLECTION_SUMMARY study if they were within 18 to 50 years of age, body mass index (BMI) < 40 in CO:COLLECTION_SUMMARY their 2nd or 3rd trimester of pregnancy as determined by their clinician using CO:COLLECTION_SUMMARY LMP and ultrasound estimates of GA, and had no immune-modifying co-morbidities CO:COLLECTION_SUMMARY or medication usage. Participants were followed longitudinally until CO:COLLECTION_SUMMARY parturition, collecting 1-3 blood samples throughout the third trimester (n = 53 CO:COLLECTION_SUMMARY participants). Blood was collected into EDTA tubes, kept on ice, and centrifuged CO:COLLECTION_SUMMARY (1500 x g, 20 min) at 4°C within 60 min. Separated plasma was stored at CO:COLLECTION_SUMMARY –80°C until further processing. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY There was no treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma samples were thawed on ice, prepared and analyzed randomly as previously SP:SAMPLEPREP_SUMMARY described (Contrepois et al., 2015). Briefly, metabolites were extracted using SP:SAMPLEPREP_SUMMARY 1:1:1 acetone:acetonitrile:methanol, evaporated to dryness under nitrogen and SP:SAMPLEPREP_SUMMARY reconstituted in 1:1 methanol:water before analysis. Each sample was spiked-in SP:SAMPLEPREP_SUMMARY with 15 analytical-grade internal standards (IS). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY RPLC experiments were performed using a Zorbax SBaq column 2.1 x 50 mm, 1.7 μm, CH:CHROMATOGRAPHY_SUMMARY 100Å (Agilent Technologies) and mobile phase solvents consisting of 0.06% CH:CHROMATOGRAPHY_SUMMARY acetic acid in water (A) and 0.06% acetic acid in methanol (B). (Contrepois et CH:CHROMATOGRAPHY_SUMMARY al., 2015) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME Agilent Zorbax SBaq (50 x 2.1 mm, 1.7 μm) CH:FLOW_RATE 0.6 ml/min CH:COLUMN_TEMPERATURE 60 CH:SOLVENT_A 0.06% acetic acid in water CH:SOLVENT_B 0.06% acetic acid in methanol #ANALYSIS AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Kevin Contrepois AN:DETECTOR_TYPE Orbitrap AN:DATA_FORMAT .RAW #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Data processing. Data from each mode were independently processed using MS:MS_COMMENTS Progenesis QI software (v2.3, Nonlinear Dynamics, Durham, NC). Metabolic MS:MS_COMMENTS features from blanks and that did not show sufficient linearity upon dilution in MS:MS_COMMENTS QC samples (r < 0.6) were discarded. Only metabolic features present in >2/3 of MS:MS_COMMENTS the samples were kept for further analysis. Inter- and intra-batch variations MS:MS_COMMENTS were corrected using the LOESS (locally estimated scatterplot smoothing Local MS:MS_COMMENTS Regression) normalization method on QC injected repetitively along the batches MS:MS_COMMENTS (span = 0.75). Data were acquired in five and three batches for HILIC and RPLC MS:MS_COMMENTS modes, respectively. Missing values were imputed by drawing from a random MS:MS_COMMENTS distribution of low values in the corresponding sample. Data from each mode were MS:MS_COMMENTS merged and resulted in a dataset containing 3,529 metabolic features that was MS:MS_COMMENTS used for downstream analysis. Metabolic features of interest were tentatively MS:MS_COMMENTS identified by matching fragmentation spectra and retention time to MS:MS_COMMENTS analytical-grade standards when possible or matching experimental MS/MS to MS:MS_COMMENTS fragmentation spectra in publicly available databases. MS:CAPILLARY_TEMPERATURE 375C MS:CAPILLARY_VOLTAGE 3.4kV MS:COLLISION_ENERGY 25 & 50 NCE MS:COLLISION_GAS N2 MS:DRY_GAS_TEMP 310C MS:MS_RESULTS_FILE ST001681_AN002744_Results.txt UNITS:MS Counts Has m/z:Yes Has RT:Yes RT units:Minutes #END