Summary of Study ST000826
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR000588. The data can be accessed directly via it's Project DOI: 10.21228/M8NX03 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST000826 |
| Study Title | CHEAR Christiani NMR |
| Study Summary | Human cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1. |
| Institute | RTI International |
| Last Name | Fennell |
| First Name | Timothy |
| Address | 3040 E Cornwallis Rd, Durham, NC 27709 |
| fennell@rti.org | |
| Phone | 9194852781 |
| Submit Date | 2017-07-26 |
| Total Subjects | 200 |
| Study Comments | Due to sample volume limitations: study samples, study pools, and CHEAR reference samples were prepared using 150 uL of sample and diluted with 100 ul of 0.9% Saline buffer. This is a deviation from the CHEAR Proficiency testing in which 400 ul of CHEAR reference sample was used and diluted with 300 uL of 0.9% Saline buffer. Samples were then transfered into a 3 mm NMR tube, in this study, as opposed to a 5 mm NMR tube for the Proficiency testing. Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer. |
| Raw Data Available | Yes |
| Raw Data File Type(s) | r |
| Chear Study | Yes |
| Analysis Type Detail | NMR |
| Release Date | 2019-09-23 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR000588 |
| Project DOI: | doi: 10.21228/M8NX03 |
| Project Title: | CHEAR Christiani NMR |
| Project Summary: | Human cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1. |
| Institute: | RTI International |
| Department: | ACP |
| Last Name: | Fennell |
| First Name: | Timothy |
| Address: | 3040 East Cornwallis rd, Durham, NORTH CAROLINA, 27709, USA |
| Email: | fennell@rti.org |
| Phone: | 9194852781 |
Subject:
| Subject ID: | SU000904 |
| Subject Type: | Human Chord Blood Serum |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Species Group: | Human |
Factors:
Subject type: Human Chord Blood Serum; Subject species: Homo sapiens (Factor headings shown in green)
| mb_sample_id | local_sample_id | Pool Group |
|---|---|---|
| SA049390 | PlasmaRef_20160726_6 | CHEAR Reference | Sample Type:Reference Sample |
| SA049391 | PlasmaRef_20160726_8 | CHEAR Reference | Sample Type:Reference Sample |
| SA049392 | PlasmaRef_20160726_9 | CHEAR Reference | Sample Type:Reference Sample |
| SA049393 | PlasmaRef_20160726_5 | CHEAR Reference | Sample Type:Reference Sample |
| SA049394 | PlasmaRef_20160726_7 | CHEAR Reference | Sample Type:Reference Sample |
| SA049395 | PlasmaRef_20160726_4 | CHEAR Reference | Sample Type:Reference Sample |
| SA049396 | PlasmaRef_20160726_1 | CHEAR Reference | Sample Type:Reference Sample |
| SA049397 | PlasmaRef_20160726_2 | CHEAR Reference | Sample Type:Reference Sample |
| SA049398 | PlasmaRef_20160726_3 | CHEAR Reference | Sample Type:Reference Sample |
| SA049399 | CHE000278 0600 | Pool 1 | Sample Type:Pool |
| SA049400 | CHE000278 0700 | Pool 1 | Sample Type:Pool |
| SA049401 | CHE000278 0500 | Pool 1 | Sample Type:Pool |
| SA049402 | CHE000278 0800 | Pool 1 | Sample Type:Pool |
| SA049403 | CHE000278 1100 | Pool 1 | Sample Type:Pool |
| SA049404 | CHE000278 0900 | Pool 1 | Sample Type:Pool |
| SA049405 | CHE000278 0300 | Pool 1 | Sample Type:Pool |
| SA049406 | CHE000278 0400 | Pool 1 | Sample Type:Pool |
| SA049407 | CHE000278 0200 | Pool 1 | Sample Type:Pool |
| SA049408 | CHE000278 1000 | Pool 1 | Sample Type:Pool |
| SA049409 | C-Z5FN9-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049410 | C-Z9M00-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049411 | C-NPVS5-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049412 | C-YT9Y1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049413 | C-YS5B8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049414 | C-GWR32-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049415 | C-LSVC6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049416 | C-HZ9K6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049417 | C-L81U3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049418 | C-HZLV3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049419 | C-Z9QK7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049420 | C-LKYY2-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049421 | C-LREB8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049422 | C-YNUT7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049423 | C-Y7R42-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049424 | C-PE2U9-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049425 | C-PA2S2-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049426 | C-XJJ07-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049427 | C-XDYH3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049428 | C-XDCY7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049429 | C-P6D39-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049430 | C-P5JW6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049431 | C-Y6R10-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049432 | C-Y7GG1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049433 | C-Y5941-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049434 | C-P4YE3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049435 | C-Y0QW1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049436 | C-L6W26-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049437 | C-J2DF2-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049438 | C-H78F5-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049439 | C-N12H4-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049440 | C-JWAY2-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049441 | C-JVGS1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049442 | C-KK418-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049443 | C-N1099-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049444 | C-N2BA1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049445 | C-KADN0-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049446 | C-N3BN0-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049447 | C-KDD41-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049448 | C-GY7T1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049449 | C-KH9B3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049450 | C-KBHQ8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049451 | C-KLF75-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049452 | C-GXF72-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049453 | C-L18P2-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049454 | C-NL6M0-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049455 | C-J4UV6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049456 | C-L3VQ6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049457 | C-KDJS6-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049458 | C-L09R9-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049459 | C-MKL04-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049460 | C-JHFP0-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049461 | C-KNVW4-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049462 | C-PELM1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049463 | C-JGTC7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049464 | C-NJ771-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049465 | C-NLCG0-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049466 | C-HMS81-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049467 | C-UJZG4-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049468 | C-URD82-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049469 | C-UDS04-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049470 | C-UDH13-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049471 | C-TLVX7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049472 | C-U4QU1-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049473 | C-USTJ3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049474 | C-UY789-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049475 | C-VKGE4-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049476 | C-VQGD3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049477 | C-VK1M9-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049478 | C-HKPH3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049479 | C-V9LA8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049480 | C-SXTV8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049481 | C-SNM00-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049482 | C-QVLT7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049483 | C-RJEY8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049484 | C-QP2F7-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049485 | C-QHZ29-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049486 | C-QEUC3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049487 | C-RV3J3-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049488 | C-RYUL8-S-01 | Pool 1 | Sample Type:Study Sample |
| SA049489 | C-SD2X1-S-01 | Pool 1 | Sample Type:Study Sample |
Collection:
| Collection ID: | CO000898 |
| Collection Summary: | Human Chord Blood serum |
| Sample Type: | Serum |
| Storage Conditions: | -80 C |
Treatment:
| Treatment ID: | TR000918 |
| Treatment Summary: | N/A |
Sample Preparation:
| Sampleprep ID: | SP000911 |
| Sampleprep Summary: | A total of 200 serum samples and 2 CHEAR Serum Reference Material aliquots were thawed on ice for sample preparation, 150 uL of the thawed serum sample were transferred to labeled tubes on ice where they were mixed with 100 uL of NMR 0.9% Saline Solution containing 2.5 mM formate. Samples were randomly assigned to one of two pools, either Pool 1 or Pool 2. An aliquot of 15 uL of each study sample was added to create their corresponding pools. A 150 uL aliquot was taken from each pool to make 10 aliqouts. Another nine pools from the CHEAR reference material samples were aliquoted and processed along with the study samples and study pools. Pool aliquots were processed identically to the study samples, as described above. Sample tubes were vortexed for 4 minutes on a multi-tube vortexer and centrifuged at 16,000 rcf for 4 mininutes. A volume of 250 uL was taken from each sample supernatant and transferred into a pre-labeled 3mm NMR tube for data acquisition on a 600 MHz spectrometer. |
Analysis:
| Analysis ID: | AN001414 |
| Laboratory Name: | David H Murdock Research Institute |
| Analysis Type: | NMR |
| Software Version: | TopSpin 3.2 |
| Operator Name: | Kevin Knagge |
| Detector Type: | NMR |
| Data Format: | fid, 1r |
| Num Factors: | 5 |
| Num Metabolites: | 51 |
| Units: | uM |
NMR:
| NMR ID: | NM000108 |
| Analysis ID: | AN001414 |
| Instrument Name: | Bruker 600 MHz |
| Instrument Type: | FT-NMR |
| NMR Experiment Type: | 1D 1H |
| NMR Comments: | Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer. |
| Field Frequency Lock: | Deuterium |
| Standard Concentration: | 1 mM |
| Spectrometer Frequency: | 600 MHz |
| NMR Probe: | 5 mm ATMA Cryoprobe |
| NMR Solvent: | D2O |
| NMR Tube Size: | 3 mm |
| Shimming Method: | Topshim |
| Pulse Sequence: | cpmgpr1d |
| Water Suppression: | yes |
| Pulse Width: | 8.99 usec |
| Power Level: | 25.119 W |
| Receiver Gain: | 4 |
| Offset Frequency: | 2817.40 Hz |
| Chemical Shift Ref Cpd: | Formate |
| Temperature: | 298.1 K |
| Number Of Scans: | 128 |
| Dummy Scans: | 4 |
| Acquisition Time: | 4.5 s |
| Relaxation Delay: | 2 s |
| Spectral Width: | 12.0 ppm |
| Num Data Points Acquired: | 65536 |
| Real Data Points: | 32768 |
| Line Broadening: | 0.5 Hz |
| Zero Filling: | yes |
| Apodization: | Lorentzian |
| Baseline Correction Method: | Polynomial |
| Chemical Shift Ref Std: | Formate |
