#METABOLOMICS WORKBENCH wpathmasiri_20231019_091659 DATATRACK_ID:4410 STUDY_ID:ST002940 ANALYSIS_ID:AN004825 PROJECT_ID:PR001829 VERSION 1 CREATED_ON October 25, 2023, 4:39 pm #PROJECT PR:PROJECT_TITLE Environmental Exposure in the New Hampshire Birth Cohort Study PR:PROJECT_TYPE C18 Reversed-Phase Broad Spectrum Metabolomics PR:PROJECT_SUMMARY This project was funded by the NIH Environmental influences on Child Health PR:PROJECT_SUMMARY Outcomes (ECHO) Program. Untargeted metabolomics profiling data was acquired PR:PROJECT_SUMMARY from plasma provided by the New Hampshire Birth Cohort Study. PR:INSTITUTE RTI CHEAR Exposure Assessment Hub PR:DEPARTMENT UNC-CH Untargeted Core PR:LABORATORY Sumner Lab PR:LAST_NAME Rushing PR:FIRST_NAME Blake PR:ADDRESS Nutrition Research Institute , University of North Carolina at Chapel Hill, 500 PR:ADDRESS Laureate Way Kannapolis, NC 28081 PR:EMAIL blake_rushing@unc.edu PR:PHONE (704) 282-9838 PR:FUNDING_SOURCE This research was supported by the Environmental Influences on Child Health PR:FUNDING_SOURCE Outcomes (ECHO) Program, Office of The Director, National Institutes of Health. PR:FUNDING_SOURCE The content is solely the responsibility of the authors and does not necessarily PR:FUNDING_SOURCE represent the official views of the National Institutes of Health. The New PR:FUNDING_SOURCE Hampshire Birth Cohort Study is an ECHO cohort project which is supported by the PR:FUNDING_SOURCE following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical PR:FUNDING_SOURCE Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C PR:FUNDING_SOURCE OD023375 ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of PR:FUNDING_SOURCE Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, PR:FUNDING_SOURCE Durham, North Carolina: Catellier D; U24 OD023382 RTI Children's Health Exposure PR:FUNDING_SOURCE Analysis Resource (CHEAR) Exposure Assessment Hub: Research Triangle Institute: PR:FUNDING_SOURCE Fennell T, UNC Untargeted Analysis Core, RTI CHEAR Hub: Sumner S; U2CES026544 PR:FUNDING_SOURCE Children's Health Exposure Analysis Resource Coordinating Center: Westat, Inc., PR:FUNDING_SOURCE Rockville, Maryland: O’Brien B; U24 ES026539 #STUDY ST:STUDY_TITLE Environmental Exposure in the New Hampshire Birth Cohort Study ST:STUDY_TYPE Prospective Cohort Study ST:STUDY_SUMMARY The New Hampshire Birth Cohort Study is a prospective cohort study of rural ST:STUDY_SUMMARY pregnant women and their children with the aim of investigating the effects of ST:STUDY_SUMMARY environmental exposures on birth outcomes and child health and development. ST:STUDY_SUMMARY Please contact Margaret Karagas at margaret.r.karagas@dartmouth.edu for ST:STUDY_SUMMARY questions related to the subject characteristics and outcomes. This research was ST:STUDY_SUMMARY supported by the Environmental influences on Child Health Outcomes (ECHO) ST:STUDY_SUMMARY Program, Office of The Director, National Institutes of Health. The content is ST:STUDY_SUMMARY solely the responsibility of the authors and does not necessarily represent the ST:STUDY_SUMMARY official views of the National Institutes of Health. The New Hampshire Birth ST:STUDY_SUMMARY Cohort Study is an ECHO cohort project which is supported by the following ECHO ST:STUDY_SUMMARY Program Collaborators: ECHO Coordinating Center: Duke Clinical Research ST:STUDY_SUMMARY Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375 ST:STUDY_SUMMARY ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public ST:STUDY_SUMMARY Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, ST:STUDY_SUMMARY North Carolina: Catellier D; U24 OD023382 RTI Children's Health Exposure ST:STUDY_SUMMARY Analysis Resource (CHEAR) Exposure Assessment Hub: Research Triangle Institute: ST:STUDY_SUMMARY Fennell T, UNC Untargeted Analysis Core, RTI CHEAR Hub: Sumner S; U2CES026544 ST:STUDY_SUMMARY Children's Health Exposure Analysis Resource Coordinating Center: Westat, Inc., ST:STUDY_SUMMARY Rockville, Maryland: O’Brien B; U24 ES026539 ST:INSTITUTE Dartmouth College ST:DEPARTMENT Department of Epidemiology ST:LABORATORY Karagas Lab ST:LAST_NAME Karagas ST:FIRST_NAME Margaret ST:ADDRESS Geisel School of Medicine at Dartmouth, 1 Medical Center Drive, Williamson ST:ADDRESS Translational Research Building, 7th Floor, Lebanon, NH 03756 ST:EMAIL margaret.r.karagas@dartmouth.edu ST:PHONE (603) 653-9010 ST:TOTAL_SUBJECTS 259 ST:STUDY_COMMENTS ECHO UG3 Project 105 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 NA CP_2 Sample Type:CHEAR | Batch:Batch_1a Analysis Order=10; 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RAW_FILE_NAME=S_1340 SUBJECT_SAMPLE_FACTORS 8034742075 S_1341 Sample Type:Maternal | Batch:Batch_2 Analysis Order=127; RAW_FILE_NAME=S_1341 SUBJECT_SAMPLE_FACTORS 8034742398 S_1342 Sample Type:Maternal | Batch:Batch_2 Analysis Order=129; RAW_FILE_NAME=S_1342 SUBJECT_SAMPLE_FACTORS 8034742383 S_1343 Sample Type:Maternal | Batch:Batch_2 Analysis Order=130; RAW_FILE_NAME=S_1343 SUBJECT_SAMPLE_FACTORS 8034742396 S_1345 Sample Type:Maternal | Batch:Batch_2 Analysis Order=131; RAW_FILE_NAME=S_1345 SUBJECT_SAMPLE_FACTORS 8034742312 S_1346 Sample Type:Maternal | Batch:Batch_2 Analysis Order=132; RAW_FILE_NAME=S_1346 SUBJECT_SAMPLE_FACTORS 8034742388 S_1347 Sample Type:Maternal | Batch:Batch_2 Analysis Order=133; RAW_FILE_NAME=S_1347 SUBJECT_SAMPLE_FACTORS 8034742349 S_1348 Sample Type:Maternal | Batch:Batch_2 Analysis Order=134; RAW_FILE_NAME=S_1348 SUBJECT_SAMPLE_FACTORS 8034742376 S_1349 Sample Type:Maternal | Batch:Batch_2 Analysis Order=135; RAW_FILE_NAME=S_1349 SUBJECT_SAMPLE_FACTORS 8034742111 S_1350 Sample Type:Maternal | Batch:Batch_2 Analysis Order=136; RAW_FILE_NAME=S_1350 SUBJECT_SAMPLE_FACTORS 8034742399 S_1351 Sample Type:Maternal | Batch:Batch_2 Analysis Order=137; RAW_FILE_NAME=S_1351 SUBJECT_SAMPLE_FACTORS 8034742394 S_1353 Sample Type:Maternal | Batch:Batch_2 Analysis Order=139; RAW_FILE_NAME=S_1353 SUBJECT_SAMPLE_FACTORS 8034742309 S_1354 Sample Type:Maternal | Batch:Batch_2 Analysis Order=140; RAW_FILE_NAME=S_1354 SUBJECT_SAMPLE_FACTORS 8034742375 S_1355 Sample Type:Maternal | Batch:Batch_2 Analysis Order=141; RAW_FILE_NAME=S_1355 SUBJECT_SAMPLE_FACTORS 8034742099 S_1356 Sample Type:Maternal | Batch:Batch_2 Analysis Order=142; RAW_FILE_NAME=S_1356 SUBJECT_SAMPLE_FACTORS 8034742320 S_1357 Sample Type:Maternal | Batch:Batch_2 Analysis Order=143; RAW_FILE_NAME=S_1357 SUBJECT_SAMPLE_FACTORS 8034742314 S_1358 Sample Type:Maternal | Batch:Batch_2 Analysis Order=144; RAW_FILE_NAME=S_1358 SUBJECT_SAMPLE_FACTORS 8034742316 S_1359 Sample Type:Maternal | Batch:Batch_2 Analysis Order=145; RAW_FILE_NAME=S_1359 SUBJECT_SAMPLE_FACTORS 8034742338 S_1360 Sample Type:Maternal | Batch:Batch_2 Analysis Order=146; RAW_FILE_NAME=S_1360 SUBJECT_SAMPLE_FACTORS 8034742087 S_1361 Sample Type:Maternal | Batch:Batch_2 Analysis Order=147; RAW_FILE_NAME=S_1361 SUBJECT_SAMPLE_FACTORS 8034742351 S_1363 Sample Type:Maternal | Batch:Batch_2 Analysis Order=149; RAW_FILE_NAME=S_1363 SUBJECT_SAMPLE_FACTORS 8034742028 S_1364 Sample Type:Maternal | Batch:Batch_2 Analysis Order=150; RAW_FILE_NAME=S_1364 SUBJECT_SAMPLE_FACTORS 8034742052 S_1365 Sample Type:Maternal | Batch:Batch_2 Analysis Order=151; RAW_FILE_NAME=S_1365 SUBJECT_SAMPLE_FACTORS 8034742358 S_1366 Sample Type:Maternal | Batch:Batch_2 Analysis Order=152; RAW_FILE_NAME=S_1366 SUBJECT_SAMPLE_FACTORS 8034742389 S_1367 Sample Type:Maternal | Batch:Batch_2 Analysis Order=153; RAW_FILE_NAME=S_1367 SUBJECT_SAMPLE_FACTORS 8034742322 S_1368 Sample Type:Maternal | Batch:Batch_2 Analysis Order=154; RAW_FILE_NAME=S_1368 SUBJECT_SAMPLE_FACTORS 8034742345 S_1369 Sample Type:Maternal | Batch:Batch_2 Analysis Order=155; RAW_FILE_NAME=S_1369 SUBJECT_SAMPLE_FACTORS 8034742327 S_1370 Sample Type:Maternal | Batch:Batch_2 Analysis Order=156; RAW_FILE_NAME=S_1370 SUBJECT_SAMPLE_FACTORS 8034742318 S_1371 Sample Type:Maternal | Batch:Batch_2 Analysis Order=157; RAW_FILE_NAME=S_1371 SUBJECT_SAMPLE_FACTORS 8034742363 S_1373 Sample Type:Maternal | Batch:Batch_2 Analysis Order=159; RAW_FILE_NAME=S_1373 SUBJECT_SAMPLE_FACTORS 8034742379 S_1374 Sample Type:Maternal | Batch:Batch_2 Analysis Order=160; RAW_FILE_NAME=S_1374 SUBJECT_SAMPLE_FACTORS 8034742355 S_1375 Sample Type:Maternal | Batch:Batch_2 Analysis Order=161; RAW_FILE_NAME=S_1375 SUBJECT_SAMPLE_FACTORS 8034742353 S_1376 Sample Type:Maternal | Batch:Batch_2 Analysis Order=162; RAW_FILE_NAME=S_1376 SUBJECT_SAMPLE_FACTORS 8034742346 S_1377 Sample Type:Maternal | Batch:Batch_2 Analysis Order=163; RAW_FILE_NAME=S_1377 SUBJECT_SAMPLE_FACTORS 8034742382 S_1378 Sample Type:Maternal | Batch:Batch_2 Analysis Order=164; RAW_FILE_NAME=S_1378 SUBJECT_SAMPLE_FACTORS 8034742325 S_1379 Sample Type:Maternal | Batch:Batch_2 Analysis Order=165; RAW_FILE_NAME=S_1379 SUBJECT_SAMPLE_FACTORS 8034742330 S_1380 Sample Type:Maternal | Batch:Batch_2 Analysis Order=167; RAW_FILE_NAME=S_1380 SUBJECT_SAMPLE_FACTORS 8034742321 S_1381 Sample Type:Maternal | Batch:Batch_2 Analysis Order=168; RAW_FILE_NAME=S_1381 SUBJECT_SAMPLE_FACTORS 8034742387 S_1383 Sample Type:Maternal | Batch:Batch_2 Analysis Order=169; RAW_FILE_NAME=S_1383 SUBJECT_SAMPLE_FACTORS 8034742370 S_1384 Sample Type:Maternal | Batch:Batch_2 Analysis Order=170; RAW_FILE_NAME=S_1384 SUBJECT_SAMPLE_FACTORS 8034742392 S_1385 Sample Type:Maternal | Batch:Batch_2 Analysis Order=171; RAW_FILE_NAME=S_1385 SUBJECT_SAMPLE_FACTORS 8034742362 S_1386 Sample Type:Maternal | Batch:Batch_2 Analysis Order=172; RAW_FILE_NAME=S_1386 SUBJECT_SAMPLE_FACTORS 8034742378 S_1387 Sample Type:Maternal | Batch:Batch_2 Analysis Order=173; RAW_FILE_NAME=S_1387 SUBJECT_SAMPLE_FACTORS 8034742324 S_1388 Sample Type:Maternal | Batch:Batch_2 Analysis Order=174; RAW_FILE_NAME=S_1388 SUBJECT_SAMPLE_FACTORS 8034742402 S_1389 Sample Type:Maternal | Batch:Batch_2 Analysis Order=175; RAW_FILE_NAME=S_1389 SUBJECT_SAMPLE_FACTORS 8034742364 S_1390 Sample Type:Maternal | Batch:Batch_2 Analysis Order=177; RAW_FILE_NAME=S_1390 SUBJECT_SAMPLE_FACTORS 8034742311 S_1391 Sample Type:Maternal | Batch:Batch_2 Analysis Order=178; RAW_FILE_NAME=S_1391 SUBJECT_SAMPLE_FACTORS 8034742373 S_1393 Sample Type:Maternal | Batch:Batch_2 Analysis Order=179; RAW_FILE_NAME=S_1393 SUBJECT_SAMPLE_FACTORS 8034742040 S_1394 Sample Type:Maternal | Batch:Batch_2 Analysis Order=180; RAW_FILE_NAME=S_1394 SUBJECT_SAMPLE_FACTORS 8034742368 S_1395 Sample Type:Maternal | Batch:Batch_2 Analysis Order=181; RAW_FILE_NAME=S_1395 SUBJECT_SAMPLE_FACTORS 8034742336 S_1396 Sample Type:Maternal | Batch:Batch_2 Analysis Order=182; RAW_FILE_NAME=S_1396 SUBJECT_SAMPLE_FACTORS 8034742323 S_1397 Sample Type:Maternal | Batch:Batch_2 Analysis Order=183; RAW_FILE_NAME=S_1397 SUBJECT_SAMPLE_FACTORS 8034742369 S_1398 Sample Type:Maternal | Batch:Batch_2 Analysis Order=184; RAW_FILE_NAME=S_1398 SUBJECT_SAMPLE_FACTORS 8034742391 S_1399 Sample Type:Maternal | Batch:Batch_2 Analysis Order=185; RAW_FILE_NAME=S_1399 SUBJECT_SAMPLE_FACTORS 8034742326 S_1400 Sample Type:Maternal | Batch:Batch_2 Analysis Order=187; RAW_FILE_NAME=S_1400 SUBJECT_SAMPLE_FACTORS 8034742329 S_1401 Sample Type:Maternal | Batch:Batch_2 Analysis Order=188; RAW_FILE_NAME=S_1401 SUBJECT_SAMPLE_FACTORS 8034742350 S_1403 Sample Type:Maternal | Batch:Batch_2 Analysis Order=189; RAW_FILE_NAME=S_1403 SUBJECT_SAMPLE_FACTORS 8034742328 S_1404 Sample Type:Maternal | Batch:Batch_2 Analysis Order=190; RAW_FILE_NAME=S_1404 SUBJECT_SAMPLE_FACTORS 8034742371 S_1405 Sample Type:Maternal | Batch:Batch_2 Analysis Order=191; RAW_FILE_NAME=S_1405 SUBJECT_SAMPLE_FACTORS 8034742313 S_1406 Sample Type:Maternal | Batch:Batch_2 Analysis Order=192; RAW_FILE_NAME=S_1406 SUBJECT_SAMPLE_FACTORS 8034742352 S_1407 Sample Type:Maternal | Batch:Batch_2 Analysis Order=193; RAW_FILE_NAME=S_1407 SUBJECT_SAMPLE_FACTORS 8034742310 S_1408 Sample Type:Maternal | Batch:Batch_2 Analysis Order=194; RAW_FILE_NAME=S_1408 SUBJECT_SAMPLE_FACTORS 8034742315 S_1409 Sample Type:Maternal | Batch:Batch_2 Analysis Order=195; RAW_FILE_NAME=S_1409 SUBJECT_SAMPLE_FACTORS 8034742343 S_1410 Sample Type:Maternal | Batch:Batch_2 Analysis Order=197; RAW_FILE_NAME=S_1410 SUBJECT_SAMPLE_FACTORS 8034742384 S_1411 Sample Type:Maternal | Batch:Batch_2 Analysis Order=198; RAW_FILE_NAME=S_1411 SUBJECT_SAMPLE_FACTORS 8034742377 S_1413 Sample Type:Maternal | Batch:Batch_2 Analysis Order=199; RAW_FILE_NAME=S_1413 SUBJECT_SAMPLE_FACTORS 8034742381 S_1414 Sample Type:Maternal | Batch:Batch_2 Analysis Order=200; RAW_FILE_NAME=S_1414 SUBJECT_SAMPLE_FACTORS 8034742339 S_1415 Sample Type:Maternal | Batch:Batch_2 Analysis Order=201; RAW_FILE_NAME=S_1415 SUBJECT_SAMPLE_FACTORS 8034742341 S_1416 Sample Type:Maternal | Batch:Batch_2 Analysis Order=202; RAW_FILE_NAME=S_1416 SUBJECT_SAMPLE_FACTORS 8034742337 S_1417 Sample Type:Maternal | Batch:Batch_2 Analysis Order=203; RAW_FILE_NAME=S_1417 SUBJECT_SAMPLE_FACTORS 8034742385 S_1418 Sample Type:Maternal | Batch:Batch_2 Analysis Order=204; RAW_FILE_NAME=S_1418 SUBJECT_SAMPLE_FACTORS 8034742347 S_1419 Sample Type:Maternal | Batch:Batch_2 Analysis Order=205; RAW_FILE_NAME=S_1419 SUBJECT_SAMPLE_FACTORS 8034742344 S_1420 Sample Type:Maternal | Batch:Batch_2 Analysis Order=207; RAW_FILE_NAME=S_1420 SUBJECT_SAMPLE_FACTORS 8034742354 S_1422 Sample Type:Maternal | Batch:Batch_2 Analysis Order=208; RAW_FILE_NAME=S_1422 SUBJECT_SAMPLE_FACTORS 8034742365 S_1423 Sample Type:Maternal | Batch:Batch_2 Analysis Order=209; RAW_FILE_NAME=S_1423 SUBJECT_SAMPLE_FACTORS 8034742348 S_1424 Sample Type:Maternal | Batch:Batch_2 Analysis Order=210; RAW_FILE_NAME=S_1424 SUBJECT_SAMPLE_FACTORS 8034742393 S_1425 Sample Type:Maternal | Batch:Batch_2 Analysis Order=211; RAW_FILE_NAME=S_1425 SUBJECT_SAMPLE_FACTORS 8034742374 S_1426 Sample Type:Maternal | Batch:Batch_2 Analysis Order=212; RAW_FILE_NAME=S_1426 SUBJECT_SAMPLE_FACTORS 8034742359 S_1427 Sample Type:Maternal | Batch:Batch_2 Analysis Order=213; RAW_FILE_NAME=S_1427 SUBJECT_SAMPLE_FACTORS 8034742366 S_1428 Sample Type:Maternal | Batch:Batch_2 Analysis Order=214; RAW_FILE_NAME=S_1428 SUBJECT_SAMPLE_FACTORS 8034742395 S_1429 Sample Type:Maternal | Batch:Batch_2 Analysis Order=215; RAW_FILE_NAME=S_1429 SUBJECT_SAMPLE_FACTORS 8034742334 S_1431 Sample Type:Maternal | Batch:Batch_2 Analysis Order=217; RAW_FILE_NAME=S_1431 SUBJECT_SAMPLE_FACTORS 8034742372 S_1432 Sample Type:Maternal | Batch:Batch_2 Analysis Order=218; RAW_FILE_NAME=S_1432 SUBJECT_SAMPLE_FACTORS 8034742380 S_1433 Sample Type:Maternal | Batch:Batch_2 Analysis Order=219; RAW_FILE_NAME=S_1433 SUBJECT_SAMPLE_FACTORS 8034742317 S_1434 Sample Type:Maternal | Batch:Batch_2 Analysis Order=220; RAW_FILE_NAME=S_1434 SUBJECT_SAMPLE_FACTORS 8034742386 S_1435 Sample Type:Maternal | Batch:Batch_2 Analysis Order=221; RAW_FILE_NAME=S_1435 SUBJECT_SAMPLE_FACTORS 8034742332 S_1436 Sample Type:Maternal | Batch:Batch_2 Analysis Order=222; RAW_FILE_NAME=S_1436 SUBJECT_SAMPLE_FACTORS 8034742360 S_1437 Sample Type:Maternal | Batch:Batch_2 Analysis Order=223; RAW_FILE_NAME=S_1437 SUBJECT_SAMPLE_FACTORS NA B3_CP_6_4 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=234; RAW_FILE_NAME=B3_CP_6_4 SUBJECT_SAMPLE_FACTORS NA B3_CP_7_3 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=244; RAW_FILE_NAME=B3_CP_7_3 SUBJECT_SAMPLE_FACTORS NA B3_CP_8_3 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=255; RAW_FILE_NAME=B3_CP_8_3 SUBJECT_SAMPLE_FACTORS NA B3_CP_8_4 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=266; RAW_FILE_NAME=B3_CP_8_4 SUBJECT_SAMPLE_FACTORS NA B3_CP_9_3 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=277; RAW_FILE_NAME=B3_CP_9_3 SUBJECT_SAMPLE_FACTORS NA B3_CP_9_4 Sample Type:CHEAR | Batch:Batch_3 Analysis Order=288; RAW_FILE_NAME=B3_CP_9_4 SUBJECT_SAMPLE_FACTORS 8034742575 S_1462 Sample Type:Maternal | Batch:Batch_3 Analysis Order=225; RAW_FILE_NAME=S_1462 SUBJECT_SAMPLE_FACTORS 8034742587 S_1463 Sample Type:Maternal | Batch:Batch_3 Analysis Order=226; RAW_FILE_NAME=S_1463 SUBJECT_SAMPLE_FACTORS 8034742588 S_1464 Sample Type:Maternal | Batch:Batch_3 Analysis Order=227; RAW_FILE_NAME=S_1464 SUBJECT_SAMPLE_FACTORS 8034742590 S_1465 Sample Type:Maternal | Batch:Batch_3 Analysis Order=228; RAW_FILE_NAME=S_1465 SUBJECT_SAMPLE_FACTORS 8034742592 S_1466 Sample Type:Maternal | Batch:Batch_3 Analysis Order=229; RAW_FILE_NAME=S_1466 SUBJECT_SAMPLE_FACTORS 8034742574 S_1468 Sample Type:Maternal | Batch:Batch_3 Analysis Order=230; RAW_FILE_NAME=S_1468 SUBJECT_SAMPLE_FACTORS 8034742586 S_1469 Sample Type:Maternal | Batch:Batch_3 Analysis Order=231; RAW_FILE_NAME=S_1469 SUBJECT_SAMPLE_FACTORS 8034742589 S_1470 Sample Type:Maternal | Batch:Batch_3 Analysis Order=232; RAW_FILE_NAME=S_1470 SUBJECT_SAMPLE_FACTORS 8034742591 S_1471 Sample Type:Maternal | Batch:Batch_3 Analysis Order=233; RAW_FILE_NAME=S_1471 SUBJECT_SAMPLE_FACTORS 8034742593 S_1472 Sample Type:Maternal | Batch:Batch_3 Analysis Order=235; RAW_FILE_NAME=S_1472 SUBJECT_SAMPLE_FACTORS 8034742502 S_1474 Sample Type:Maternal | Batch:Batch_3 Analysis Order=236; RAW_FILE_NAME=S_1474 SUBJECT_SAMPLE_FACTORS 8034742514 S_1475 Sample Type:Maternal | Batch:Batch_3 Analysis Order=237; RAW_FILE_NAME=S_1475 SUBJECT_SAMPLE_FACTORS 8034742526 S_1476 Sample Type:Maternal | Batch:Batch_3 Analysis Order=238; RAW_FILE_NAME=S_1476 SUBJECT_SAMPLE_FACTORS 8034742538 S_1477 Sample Type:Maternal | Batch:Batch_3 Analysis Order=239; RAW_FILE_NAME=S_1477 SUBJECT_SAMPLE_FACTORS 8034742550 S_1478 Sample Type:Maternal | Batch:Batch_3 Analysis Order=240; RAW_FILE_NAME=S_1478 SUBJECT_SAMPLE_FACTORS 8034742503 S_1479 Sample Type:Maternal | Batch:Batch_3 Analysis Order=241; RAW_FILE_NAME=S_1479 SUBJECT_SAMPLE_FACTORS 8034742515 S_1480 Sample Type:Maternal | Batch:Batch_3 Analysis Order=242; RAW_FILE_NAME=S_1480 SUBJECT_SAMPLE_FACTORS 8034742527 S_1481 Sample Type:Maternal | Batch:Batch_3 Analysis Order=243; RAW_FILE_NAME=S_1481 SUBJECT_SAMPLE_FACTORS 8034742539 S_1482 Sample Type:Maternal | Batch:Batch_3 Analysis Order=245; RAW_FILE_NAME=S_1482 SUBJECT_SAMPLE_FACTORS 8034742551 S_1483 Sample Type:Maternal | Batch:Batch_3 Analysis Order=246; RAW_FILE_NAME=S_1483 SUBJECT_SAMPLE_FACTORS 8034742504 S_1484 Sample Type:Maternal | Batch:Batch_3 Analysis Order=247; RAW_FILE_NAME=S_1484 SUBJECT_SAMPLE_FACTORS 8034742516 S_1485 Sample Type:Maternal | Batch:Batch_3 Analysis Order=248; RAW_FILE_NAME=S_1485 SUBJECT_SAMPLE_FACTORS 8034742528 S_1486 Sample Type:Maternal | Batch:Batch_3 Analysis Order=249; RAW_FILE_NAME=S_1486 SUBJECT_SAMPLE_FACTORS 8034742540 S_1487 Sample Type:Maternal | Batch:Batch_3 Analysis Order=250; RAW_FILE_NAME=S_1487 SUBJECT_SAMPLE_FACTORS 8034742552 S_1488 Sample Type:Maternal | Batch:Batch_3 Analysis Order=251; RAW_FILE_NAME=S_1488 SUBJECT_SAMPLE_FACTORS 8034742505 S_1489 Sample Type:Maternal | Batch:Batch_3 Analysis Order=252; RAW_FILE_NAME=S_1489 SUBJECT_SAMPLE_FACTORS 8034742517 S_1490 Sample Type:Maternal | Batch:Batch_3 Analysis Order=253; RAW_FILE_NAME=S_1490 SUBJECT_SAMPLE_FACTORS 8034742529 S_1491 Sample Type:Maternal | Batch:Batch_3 Analysis Order=254; RAW_FILE_NAME=S_1491 SUBJECT_SAMPLE_FACTORS 8034742541 S_1492 Sample Type:Maternal | Batch:Batch_3 Analysis Order=256; RAW_FILE_NAME=S_1492 SUBJECT_SAMPLE_FACTORS 8034742553 S_1493 Sample Type:Maternal | Batch:Batch_3 Analysis Order=257; RAW_FILE_NAME=S_1493 SUBJECT_SAMPLE_FACTORS 8034742506 S_1494 Sample Type:Maternal | Batch:Batch_3 Analysis Order=258; RAW_FILE_NAME=S_1494 SUBJECT_SAMPLE_FACTORS 8034742518 S_1495 Sample Type:Maternal | Batch:Batch_3 Analysis Order=259; RAW_FILE_NAME=S_1495 SUBJECT_SAMPLE_FACTORS 8034742530 S_1496 Sample Type:Maternal | Batch:Batch_3 Analysis Order=260; RAW_FILE_NAME=S_1496 SUBJECT_SAMPLE_FACTORS 8034742542 S_1497 Sample Type:Maternal | Batch:Batch_3 Analysis Order=261; RAW_FILE_NAME=S_1497 SUBJECT_SAMPLE_FACTORS 8034742554 S_1498 Sample Type:Maternal | Batch:Batch_3 Analysis Order=262; RAW_FILE_NAME=S_1498 SUBJECT_SAMPLE_FACTORS 8034742507 S_1499 Sample Type:Maternal | Batch:Batch_3 Analysis Order=263; RAW_FILE_NAME=S_1499 SUBJECT_SAMPLE_FACTORS 8034742519 S_1500 Sample Type:Maternal | Batch:Batch_3 Analysis Order=264; RAW_FILE_NAME=S_1500 SUBJECT_SAMPLE_FACTORS 8034742531 S_1501 Sample Type:Maternal | Batch:Batch_3 Analysis Order=265; RAW_FILE_NAME=S_1501 SUBJECT_SAMPLE_FACTORS 8034742543 S_1502 Sample Type:Maternal | Batch:Batch_3 Analysis Order=267; RAW_FILE_NAME=S_1502 SUBJECT_SAMPLE_FACTORS 8034742555 S_1503 Sample Type:Maternal | Batch:Batch_3 Analysis Order=268; RAW_FILE_NAME=S_1503 SUBJECT_SAMPLE_FACTORS 8034742508 S_1504 Sample Type:Maternal | Batch:Batch_3 Analysis Order=269; RAW_FILE_NAME=S_1504 SUBJECT_SAMPLE_FACTORS 8034742520 S_1505 Sample Type:Maternal | Batch:Batch_3 Analysis Order=270; RAW_FILE_NAME=S_1505 SUBJECT_SAMPLE_FACTORS 8034742532 S_1506 Sample Type:Maternal | Batch:Batch_3 Analysis Order=271; RAW_FILE_NAME=S_1506 SUBJECT_SAMPLE_FACTORS 8034742544 S_1507 Sample Type:Maternal | Batch:Batch_3 Analysis Order=272; RAW_FILE_NAME=S_1507 SUBJECT_SAMPLE_FACTORS 8034742556 S_1508 Sample Type:Maternal | Batch:Batch_3 Analysis Order=273; RAW_FILE_NAME=S_1508 SUBJECT_SAMPLE_FACTORS 8034742509 S_1509 Sample Type:Maternal | Batch:Batch_3 Analysis Order=274; RAW_FILE_NAME=S_1509 SUBJECT_SAMPLE_FACTORS 8034742521 S_1510 Sample Type:Maternal | Batch:Batch_3 Analysis Order=275; RAW_FILE_NAME=S_1510 SUBJECT_SAMPLE_FACTORS 8034742533 S_1511 Sample Type:Maternal | Batch:Batch_3 Analysis Order=276; RAW_FILE_NAME=S_1511 SUBJECT_SAMPLE_FACTORS 8034742545 S_1512 Sample Type:Maternal | Batch:Batch_3 Analysis Order=278; RAW_FILE_NAME=S_1512 SUBJECT_SAMPLE_FACTORS 8034742557 S_1513 Sample Type:Maternal | Batch:Batch_3 Analysis Order=279; RAW_FILE_NAME=S_1513 SUBJECT_SAMPLE_FACTORS 8034742510 S_1514 Sample Type:Maternal | Batch:Batch_3 Analysis Order=280; RAW_FILE_NAME=S_1514 SUBJECT_SAMPLE_FACTORS 8034742522 S_1515 Sample Type:Maternal | Batch:Batch_3 Analysis Order=281; RAW_FILE_NAME=S_1515 SUBJECT_SAMPLE_FACTORS 8034742534 S_1516 Sample Type:Maternal | Batch:Batch_3 Analysis Order=282; RAW_FILE_NAME=S_1516 SUBJECT_SAMPLE_FACTORS 8034742546 S_1517 Sample Type:Maternal | Batch:Batch_3 Analysis Order=283; RAW_FILE_NAME=S_1517 SUBJECT_SAMPLE_FACTORS 8034742511 S_1519 Sample Type:Maternal | Batch:Batch_3 Analysis Order=284; RAW_FILE_NAME=S_1519 SUBJECT_SAMPLE_FACTORS 8034742523 S_1520 Sample Type:Maternal | Batch:Batch_3 Analysis Order=285; RAW_FILE_NAME=S_1520 SUBJECT_SAMPLE_FACTORS 8034742535 S_1521 Sample Type:Maternal | Batch:Batch_3 Analysis Order=286; RAW_FILE_NAME=S_1521 SUBJECT_SAMPLE_FACTORS 8034742547 S_1522 Sample Type:Maternal | Batch:Batch_3 Analysis Order=287; RAW_FILE_NAME=S_1522 #COLLECTION CO:COLLECTION_SUMMARY N/A CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Study samples were shipped from Karagas Lab, Dartmouth College, NH to the NC SP:SAMPLEPREP_SUMMARY HHEAR Hub on dry ice. The NC HHEAR Hub thawed and transferred 50 µL of the SP:SAMPLEPREP_SUMMARY study samples to a new set of tubes and used them for the analysis. All sample SP:SAMPLEPREP_SUMMARY aliquots (50 µL each) were stored at -80° C until the day of sample SP:SAMPLEPREP_SUMMARY preparation. CHEAR reference plasma (50 µL each) were provided by the NC HHEAR SP:SAMPLEPREP_SUMMARY Hub. LC-MS grade water (50 µL) was used as blanks. All samples were thawed at SP:SAMPLEPREP_SUMMARY 4°C overnight before the preparation. Samples, including study samples, CHEAR SP:SAMPLEPREP_SUMMARY reference plasma, and blanks were mixed with 400 µL methanol containing 500 SP:SAMPLEPREP_SUMMARY ng/mL tryptophan-d5 as internal standard and vortexed by a multiple tube vortex SP:SAMPLEPREP_SUMMARY mixer for 2 min at 5000 rpm at room temperature. All samples were centrifuged at SP:SAMPLEPREP_SUMMARY 16,000 rcf for 10 min at 4°C. The supernatant (350 µL) was transferred into a SP:SAMPLEPREP_SUMMARY pre-labeled 2.0 mL Lo-bind Eppendorf tube, dried by a SpeedVac overnight, and SP:SAMPLEPREP_SUMMARY stored at -80° C. For immediate analysis, 100 µL of water-methanol solution SP:SAMPLEPREP_SUMMARY (95:5, v/v) was used to reconstitute the dried extracts. Samples were thoroughly SP:SAMPLEPREP_SUMMARY mixed on a multiple tube vortex mixer for 10 min at 5000 rpm at room temperature SP:SAMPLEPREP_SUMMARY and then centrifuged at 4°C for 10 min at 16,000 rcf. The supernatant was SP:SAMPLEPREP_SUMMARY transferred to pre-labeled autosampler vials for data acquisition by LC-MS. SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACTION_METHOD Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION Water-Methanol (95:5, v/v) SP:SAMPLE_SPIKING Tryptophan-d5 stock solution at 500 ng/mL #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Reversed phase CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% methanol; 0.1% formic acid CH:FLOW_GRADIENT Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. CH:FLOW_GRADIENT 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6. 22.00 CH:FLOW_GRADIENT 0.4 99.0 1.0 5 CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 50 ℃ CH:COLUMN_PRESSURE 6000-10000 psi CH:INJECTION_TEMPERATURE 8 ℃ CH:INTERNAL_STANDARD Tryptophan-d5 CH:ANALYTICAL_TIME 22 min CH:WEAK_WASH_SOLVENT_NAME 10% methanol/90% water; 0.1% formic acid CH:STRONG_WASH_SOLVENT_NAME 75% 2-Propanol/25% Water; 0.1% formic acid #ANALYSIS AN:ANALYSIS_TYPE MS AN:DETECTOR_TYPE Orbitrap AN:SOFTWARE_VERSION Xcalibur 4.1.31.9 AN:ACQUISITION_DATE 7/31/2019-8/3/2018; 8/14/2019-8/16/2019; 9/4/2019-9/6/2019 AN:DATA_FORMAT Profile #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data MS:MS_COMMENTS acquisition; Progenesis QI 2.4 for data preprocessing MS:CAPILLARY_TEMPERATURE 320 °C MS:CAPILLARY_VOLTAGE 3.5 KV MS:COLLISION_ENERGY 20-45, ramp MS:COLLISION_GAS N2 MS:FRAGMENTATION_METHOD CID MS:ION_SPRAY_VOLTAGE 3.5kV MS:IONIZATION ES+ MS:MASS_ACCURACY 5 ppm MS:DATAFORMAT Profile MS:DESOLVATION_GAS_FLOW 55 MS:DESOLVATION_TEMPERATURE 400 ℃ MS:MS_RESULTS_FILE ST002940_AN004825_Results.txt UNITS:Normalized Intensity Has m/z:Yes Has RT:Yes RT units:Minutes #END