Summary of Study ST001799
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 PR001136. The data can be accessed directly via it's Project DOI: 10.21228/M8VQ4D This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST001799 |
| Study Title | Recovery of internal std in SRM-1957 |
| Study Type | Untargeted MS anlaysis |
| Study Summary | Validation of XLE quantification using standard reference material. High recovery of [13C] labelled chemicals was obtained for important classes of environmental chemicals (PCB, PBDE, PAH, chlorinated pesticides) in NIST SRM-1957. Recoveries ranged from 110±7% for [13C10]mirex to 91 to 105% for congeners of universally [13C] labeled PCBs, PBDEs and chlorinated pesticides, with only [13C12]p,p’-dichlorodiphenyldichloroethylene (p,p’-DDE) having low recovery of 65±6%. Therefore, the simplified extraction procedure provides an efficient recovery of environment chemicals in an organic phase. |
| Institute | Emory University |
| Department | Medicine/Pulmonary |
| Laboratory | Dean Jones |
| Last Name | Hu |
| First Name | Xin |
| Address | Emory University Whitehead building (Rm 225), 615 Michael Street |
| xin.hu2@emory.edu | |
| Phone | 4047275091 |
| Submit Date | 2021-05-05 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML |
| Analysis Type Detail | GC-MS |
| Release Date | 2021-05-20 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002921 |
|---|---|
| Analysis type | MS |
| Chromatography type | GC |
| Chromatography system | Thermo Trace 1310 |
| Column | Agilent DB5-MS (15m x 0.25mm,0.25um) |
| MS Type | EI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE |
| Units | raw intensity |
MS:
| MS ID: | MS002713 |
| Analysis ID: | AN002921 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | EI |
| MS Comments: | Data were collected from 3 to 24.37 min with positive electron ionization (EI) mode (+70 eV), scanning from m/z 85.0000 to 850.0000 with a resolution of 60,000. Raw data were examined by checking signal-to-noise ratio, peak shape and spectral information for surrogate and internal standards using a 5 ppm m/z tolerance and 30 s retention time window in xCalibur Qualbrowser software. Data extraction was performed by XCMS to generate about 40,000 chemical features identified by spectral m/z and retention time. |
| Ion Mode: | POSITIVE |
