Summary of Study ST001946
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 PR001233. The data can be accessed directly via it's Project DOI: 10.21228/M8B99H This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST001946 |
| Study Title | Bipolar disorder metabolomics analysis using FiehnLib and GMD for curation |
| Study Type | Untargeted GC analysis |
| Study Summary | In this study we analyzed the blood serum from 14 controls and 14 BD patients using GC-MS under the conditions required for the use of FiehnLib library with GMD as secondary library for curation on a untargeted metabolomics approach |
| Institute | University of Campinas |
| Department | Chemistry Institute, Department of Analytical Chemistry |
| Laboratory | Laboratory of Bioanalytics and Integrated Omics (LaBIOmics) |
| Last Name | Ribeiro |
| First Name | Henrique |
| Address | Rua Sérgio Buarque de Holanda,s/n |
| hcarachoribeiro@gmail.com | |
| Phone | +55 19 3521 3018 |
| Submit Date | 2021-10-11 |
| Num Groups | 2 |
| Total Subjects | 28 |
| Num Males | 11 |
| Num Females | 17 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | cdf |
| Analysis Type Detail | GC-MS |
| Release Date | 2021-11-04 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003168 |
|---|---|
| Analysis type | MS |
| Chromatography type | GC |
| Chromatography system | HP/Agilent 5890 Series II |
| Column | HP5-MS (30m x 0.25mm x 0.25um) + Duragard precolumn (10m) |
| MS Type | EI |
| MS instrument type | Single quadrupole |
| MS instrument name | HP 5970 Series Quadrupole Mass Selective Detector |
| Ion Mode | UNSPECIFIED |
| Units | Intensities after normalization by Internal standard and log2 transformed |
MS:
| MS ID: | MS002946 |
| Analysis ID: | AN003168 |
| Instrument Name: | HP 5970 Series Quadrupole Mass Selective Detector |
| Instrument Type: | Single quadrupole |
| MS Type: | EI |
| MS Comments: | The GC-MS conditions were the same as required to use the FiehnLib library (Kind et al., 2009). The data obtained were exported as ‘.AIA’ format in GC Chemstation then transformed in ‘.d’ using Agilent GC-MS translator and finally converted in ‘.abf’ format using MS-DIAL ABF file converter. The ‘.abf’ files were then analyzed in MS-DIAL (version 4.16) for peak picking, deconvolution and peak identification. The peak table containing the identifications from FiehnLib and the respective intensities in total ion chromatogram (TIC) from each metabolite were exported and analyzed using R statistical programming language (version 3.60) to evaluate the relative standard deviations (RSD) from each metabolite on the QC samples. Metabolites with RSD > 30 % were discarded due to excessive deviation through the batch. We opted to perform a second curation of the identifications using Golm Metabolite Database (GMD) since was observed a deviation of ± 0.2 minutes on the identifications comparing to the value shown in the library, caused possibly by the equipment. Metabolites that presented inconsistencies between both platforms were considered unknown, where some of these were just identified by their functional groups using one of GMD functionalities. |
| Ion Mode: | UNSPECIFIED |
